General Information of the Compound
| Compound ID |
CP0493310
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| Compound Name |
1-(4-(5,5-Difluoro-2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)-2-methylbenzylcarbamoyl)-Lproline-N,N-dimethylamide
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| Structure |
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| Formula |
C27H32F2N4O3
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| Molecular Weight |
498.574
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCC(F)(F)c2ccccc12
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| InChI |
InChI=1S/C27H32F2N4O3/c1-18-16-19(24(34)32-15-7-13-27(28,29)21-8-4-5-9-22(21)32)11-12-20(18)17-30-26(36)33-14-6-10-23(33)25(35)31(2)3/h4-5,8-9,11-12,16,23H,6-7,10,13-15,17H2,1-3H3,(H,30,36)/t23-/m0/s1
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| InChIKey |
BZKOKCITTQGGFF-QHCPKHFHSA-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