General Information of the Compound
| Compound ID |
CP0577645
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| Compound Name |
N-[4-[1-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C37H41N5O2
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| Molecular Weight |
587.768
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| Canonical SMILES |
CN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc23)CC1
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| InChI |
InChI=1S/C37H41N5O2/c1-39-25-27-40(28-26-39)21-9-22-41-23-10-24-42(35-16-8-7-15-34(35)41)37(44)30-17-19-31(20-18-30)38-36(43)33-14-6-5-13-32(33)29-11-3-2-4-12-29/h2-8,11-20H,9-10,21-28H2,1H3,(H,38,43)
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| InChIKey |
GIHZPTQRLOCQDO-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