SynthArenav0.5.0
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From isChemist

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  3. Syntheseus LocalRetro on mkt-cnv-160
Target 1 of 160

Syntheseus LocalRetroonmkt-cnv-160

Part of the Syntheseus algorithm family
Community
1,482
Routes Found
42.1 min
Total Duration
$0.13
Cost
Aug 4, 2026
Executed
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
Tier-0 validSolv-0[buyables-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100
95.6%95.6%8.8%14.4%16.9%21.3%21.3%21.3%21.3%

n = 160 targets

Metrics by Benchmark Stratum
Target-level performance using RetroCast's exact reported strata.
StratumTier-0 validSolv-0[buyables-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100n
depth 2100.0%100.0%17.5%32.5%40.0%42.5%42.5%42.5%42.5%40
depth 397.5%97.5%7.5%10.0%10.0%22.5%22.5%22.5%22.5%40
depth 487.5%87.5%7.5%10.0%10.0%10.0%10.0%10.0%10.0%40
depth 597.5%97.5%2.5%5.0%7.5%10.0%10.0%10.0%10.0%40

Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).

n5-00045

4 stepsConvergentHas Acceptable Routes

SMILES

OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1

InChiKey

QRPLRPXUJNDKKA-UHFFFAOYSA-N

Prediction Route
Rank 1 • Length: 3 steps • Convergent
View:
Tier-0 validSolv-0[buyables-stock] pass
/ 10
smiles
OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1
inchikey
QRPLRPXUJNDKKA-UHFFFAOYSA-N
smiles
OB(O)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
inchikey
AXUQYOWBVVXRLV-UHFFFAOYSA-N
smiles
OB(O)c1cccc(OCC(O)CCl)c1
inchikey
HKTNRUCYYLEEIK-UHFFFAOYSA-N
smiles
OC(CCl)CCl
inchikey
DEWLEGDTCGBNGU-UHFFFAOYSA-N
buyable information
vendoreMolecules
price$1.0/g
vendor page
eMols$1.0/g
smiles
OB(O)c1cccc(O)c1
inchikey
WFWQWTPAPNEOFE-UHFFFAOYSA-N
buyable information
vendorLabNetwork
price$1.0/g
LabNet$1.0/g
smiles
c1ccc2c(c1)CCNC2
inchikey
UWYZHKAOTLEWKK-UHFFFAOYSA-N
buyable information
vendorMcule
price$0.87/g
lead time7-21days
vendor page
Mcule$0.87/g
smiles
Brc1ccc2ncn(Cc3ccccc3)c2c1
inchikey
KHRQWUPQXHUGAJ-UHFFFAOYSA-N
smiles
BrCc1ccccc1
inchikey
AGEZXYOZHKGVCM-UHFFFAOYSA-N
buyable information
vendoreMolecules
price$1.0/g
vendor page
eMols$1.0/g
smiles
Brc1ccc2nc[nH]c2c1
inchikey
GEDVWGDBMPJNEV-UHFFFAOYSA-N
buyable information
vendorMcule
price$2.2/g
lead time7-21days
vendor page
Mcule$2.2/g
React Flow
Press enter or space to select a node. You can then use the arrow keys to move the node around. Press delete to remove it and escape to cancel.
Press enter or space to select an edge. You can then press delete to remove it or escape to cancel.
legend:in stockavailable molecule