General Information of the Compound
| Compound ID |
CP0403059
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| Compound Name |
methyl 2-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoyl]indole-1-carboxylate
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| Structure |
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| Formula |
C37H33N5O6
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| Molecular Weight |
643.7
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| Canonical SMILES |
COC(=O)n1c(cc2ccccc12)C(=O)NC1C(=O)N(CC(=O)N(C(C)C)c2ccccc2)c2ccccc2N(c2ccccc2)C1=O
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| InChI |
InChI=1S/C37H33N5O6/c1-24(2)40(26-15-6-4-7-16-26)32(43)23-39-29-20-12-13-21-30(29)41(27-17-8-5-9-18-27)36(46)33(35(39)45)38-34(44)31-22-25-14-10-11-19-28(25)42(31)37(47)48-3/h4-22,24,33H,23H2,1-3H3,(H,38,44)
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| InChIKey |
SNVSYPLFUFXAES-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
Protein ID: PT00958, Cholecystokinin receptor type A
Protein ID: PT01124, Gastrin/cholecystokinin type B receptor