General Information of the Compound
| Compound ID |
CP0577520
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| Compound Name |
N-[4-[7-chloro-1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C36H37ClN4O3
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| Molecular Weight |
609.17
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| Canonical SMILES |
Clc1ccc2N(CCCN3CCOCC3)CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1
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| InChI |
InChI=1S/C36H37ClN4O3/c37-29-14-17-33-34(26-29)41(21-7-20-40(33)19-6-18-39-22-24-44-25-23-39)36(43)28-12-15-30(16-13-28)38-35(42)32-11-5-4-10-31(32)27-8-2-1-3-9-27/h1-5,8-17,26H,6-7,18-25H2,(H,38,42)
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| InChIKey |
FONSYKVQZMLQHR-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