General Information of the Compound
| Compound ID |
CP0911239
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| Compound Name |
2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(1H-imidazol-1-yl)-phenyl)-acetamide
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| Structure |
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| Formula |
C31H36N6O3
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| Molecular Weight |
540.668
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| Canonical SMILES |
CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-n3ccnc3)c2)N=C(C2CCCCC2)c2ccccc21
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| InChI |
InChI=1S/C31H36N6O3/c1-31(2,3)27(38)19-36-26-15-8-7-14-25(26)29(22-10-5-4-6-11-22)34-37(30(36)40)20-28(39)33-23-12-9-13-24(18-23)35-17-16-32-21-35/h7-9,12-18,21-22H,4-6,10-11,19-20H2,1-3H3,(H,33,39)
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| InChIKey |
JBGGGNZLOWMARA-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