General Information of the Compound
| Compound ID |
CP0845302
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| Compound Name |
(E)-2-(3-(6-(cyclopentylamino)pyridin-3-yl)-3-oxoprop-1-enyl)benzonitrile
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| Structure |
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| Formula |
C20H19N3O
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| Molecular Weight |
317.392
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| Canonical SMILES |
N#Cc1ccccc1/C=C/C(=O)c1ccc(NC2CCCC2)nc1
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| InChI |
InChI=1S/C20H19N3O/c21-13-16-6-2-1-5-15(16)9-11-19(24)17-10-12-20(22-14-17)23-18-7-3-4-8-18/h1-2,5-6,9-12,14,18H,3-4,7-8H2,(H,22,23)/b11-9+
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| InChIKey |
NWHAGGKCCOGQQS-PKNBQFBNSA-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