General Information of the Compound
| Compound ID |
CP0401894
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| Compound Name |
1-(2-Methyl-4-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)-benzylcarbamoyl)-Lproline-N,N-dimethylamide
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| Structure |
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| Formula |
C28H36N4O3
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| Molecular Weight |
476.621
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| Canonical SMILES |
CC1CCCN(C(=O)c2ccc(CNC(=O)N3CCC[C@H]3C(=O)N(C)C)c(C)c2)c2ccccc12
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| InChI |
InChI=1S/C28H36N4O3/c1-19-9-7-15-31(24-11-6-5-10-23(19)24)26(33)21-13-14-22(20(2)17-21)18-29-28(35)32-16-8-12-25(32)27(34)30(3)4/h5-6,10-11,13-14,17,19,25H,7-9,12,15-16,18H2,1-4H3,(H,29,35)/t19?,25-/m0/s1
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| InChIKey |
USZPKBBONLRNHO-BIAFCPFJSA-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