SynthArenav0.5.0
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From isChemist

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  3. SynPlanner NMCS on mkt-cnv-160
Target 1 of 160

SynPlanner NMCSonmkt-cnv-160

Part of the SynPlanner algorithm family
Community
4,014
Routes Found
161.1 min
Total Duration
$0.48
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
63.1%63.1%12.5%16.9%17.5%20.6%21.3%21.3%21.9%

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 277.5%77.5%30.0%35.0%35.0%40.0%40.0%40.0%42.5%40
depth 370.0%70.0%10.0%20.0%22.5%27.5%30.0%30.0%30.0%40
depth 455.0%55.0%7.5%7.5%7.5%10.0%10.0%10.0%10.0%40
depth 550.0%50.0%2.5%5.0%5.0%5.0%5.0%5.0%5.0%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 • Linear
View:
Tier-0 validSolv-0[buyables-stock] pass
/ 10
smiles
OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1
inchikey
QRPLRPXUJNDKKA-UHFFFAOYSA-N
smiles
c1ccc(Cn2cnc3ccc(-c4cccc(OCC5CO5)c4)cc32)cc1
inchikey
LSAFLAMOYLZIRN-UHFFFAOYSA-N
smiles
Brc1ccc2ncn(Cc3ccccc3)c2c1
inchikey
KHRQWUPQXHUGAJ-UHFFFAOYSA-N
smiles
BrBr
inchikey
GDTBXPJZTBHREO-UHFFFAOYSA-N
buyable information
vendorLabNetwork
price$19.0/g
LabNet$19.0/g
smiles
c1ccc(Cn2cnc3ccccc32)cc1
inchikey
MNEIJGDSFRHGMS-UHFFFAOYSA-N
buyable information
vendorMcule
price$19.8/g
lead time7-21days
vendor page
Mcule$19.8/g
smiles
Brc1cccc(OCC2CO2)c1
inchikey
MJDGHPATEBXUTI-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
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