General Information of the Compound
| Compound ID |
CP0407464
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| Compound Name |
(+/-)-2-[6-(1H-Indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-4,5,6,7-tetrahydro-1H-1,4-diazepin-1-yl]-N-(1-methylethyl)-N-[4-(4-morpholinyl)phenyl]acetamide
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| Structure |
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| Formula |
C34H36N6O4
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| Molecular Weight |
592.7
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| Canonical SMILES |
CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C34H36N6O4/c1-24(2)40(27-14-12-25(13-15-27)37-18-20-44-21-19-37)32(41)23-38-16-17-39(26-8-4-3-5-9-26)34(43)29(33(38)42)22-31-28-10-6-7-11-30(28)35-36-31/h3-17,24,29H,18-23H2,1-2H3,(H,35,36)
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| InChIKey |
SMQNEHDHBSQJON-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