General Information of the Compound
| Compound ID |
CP0302171
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| Compound Name |
2-[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]-N-phenylacetamide
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| Structure |
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| Formula |
C34H32N4O4
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| Molecular Weight |
560.654
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| Canonical SMILES |
CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(CC(=O)Nc2ccccc2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C34H32N4O4/c1-24(2)37(26-16-8-4-9-17-26)32(40)23-36-29-20-12-13-21-30(29)38(27-18-10-5-11-19-27)34(42)28(33(36)41)22-31(39)35-25-14-6-3-7-15-25/h3-21,24,28H,22-23H2,1-2H3,(H,35,39)
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| InChIKey |
LNIOBOYWQUFRMI-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