General Information of the Compound
| Compound ID |
CP0498294
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| Compound Name |
N-[4-[[(3aS,9bR)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C21H21N3O2
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| Molecular Weight |
347.418
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| Canonical SMILES |
CC(=O)Nc1ccc(CN2C[C@H]3COc4ccc(cc4[C@@H]3C2)C#N)cc1
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| InChI |
InChI=1S/C21H21N3O2/c1-14(25)23-18-5-2-15(3-6-18)10-24-11-17-13-26-21-7-4-16(9-22)8-19(21)20(17)12-24/h2-8,17,20H,10-13H2,1H3,(H,23,25)/t17-,20+/m0/s1
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| InChIKey |
BIMVUZQTSDREEH-FXAWDEMLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor