General Information of the Compound
| Compound ID |
CP0635259
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| Compound Name |
N-[3-(1-ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl]-N-[2-(1-oxo-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C34H38N4O6S
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| Molecular Weight |
630.767
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)S(=O)(=O)c3ccccc3)ccc21
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| InChI |
InChI=1S/C34H38N4O6S/c1-5-38-29-17-16-26(24-30(29)35(4)32(40)34(2,3)33(38)41)44-23-11-19-37(45(42,43)27-13-7-6-8-14-27)22-21-36-20-18-25-12-9-10-15-28(25)31(36)39/h6-10,12-18,20,24H,5,11,19,21-23H2,1-4H3
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| InChIKey |
CMPJAGCXBOHFAF-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