General Information of the Compound
| Compound ID |
CP0462342
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| Compound Name |
1-(3-Cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)-piperidine-4-carboxylic acid methyl ester
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| Structure |
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| Formula |
C15H16N4O2
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| Molecular Weight |
284.319
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| Canonical SMILES |
COC(=O)C1CCN(CC1)c1[nH]c2cccnc2c1C#N
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| InChI |
InChI=1S/C15H16N4O2/c1-21-15(20)10-4-7-19(8-5-10)14-11(9-16)13-12(18-14)3-2-6-17-13/h2-3,6,10,18H,4-5,7-8H2,1H3
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| InChIKey |
QNBLGBIECAIAQI-UHFFFAOYSA-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