General Information of the Compound
| Compound ID |
CP0917745
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| Compound Name |
4-(9-chloro-6-oxo-6,7-dihydro-5H-benzo[b]pyrimido[4,5-d]azepin-2-ylamino)-N-cyclopentylbenzamide
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| Structure |
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| Formula |
C24H22ClN5O2
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| Molecular Weight |
447.926
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| Canonical SMILES |
O=C1Cc2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3)nc2-c2ccc(Cl)cc2N1
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| InChI |
InChI=1S/C24H22ClN5O2/c25-16-7-10-19-20(12-16)29-21(31)11-15-13-26-24(30-22(15)19)28-18-8-5-14(6-9-18)23(32)27-17-3-1-2-4-17/h5-10,12-13,17H,1-4,11H2,(H,27,32)(H,29,31)(H,26,28,30)
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| InChIKey |
FFZVYDXVTYFQQL-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