General Information of the Compound
| Compound ID |
CP0634892
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| Compound Name |
4-(((3-(1-ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl)(2-(1-oxoisoquinolin-2(1H)-yl)ethyl)amino)methyl)benzonitrile
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| Structure |
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| Formula |
C36H39N5O4
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| Molecular Weight |
605.739
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccc(C#N)cc3)ccc21
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| InChI |
InChI=1S/C36H39N5O4/c1-5-41-31-16-15-29(23-32(31)38(4)34(43)36(2,3)35(41)44)45-22-8-18-39(25-27-13-11-26(24-37)12-14-27)20-21-40-19-17-28-9-6-7-10-30(28)33(40)42/h6-7,9-17,19,23H,5,8,18,20-22,25H2,1-4H3
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| InChIKey |
MGRLWDRGBXQTMU-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