General Information of the Compound
| Compound ID |
CP0072039
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| Compound Name |
N-cyclopentyl-4-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]benzamide
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| Structure |
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| Formula |
C23H21N5O
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| Molecular Weight |
383.455
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| Canonical SMILES |
O=C(NC1CCCC1)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12
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| InChI |
InChI=1S/C23H21N5O/c29-23(27-17-3-1-2-4-17)16-7-5-15(6-8-16)22-25-12-10-20(28-22)19-13-26-21-14-24-11-9-18(19)21/h5-14,17,26H,1-4H2,(H,27,29)
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| InChIKey |
XPBRJXPIAAHIDG-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