General Information of the Compound
| Compound ID |
CP0492781
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| Compound Name |
propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(2-morpholin-4-ylethyl)benzoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
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| Structure |
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| Formula |
C31H36FN3O4
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| Molecular Weight |
533.644
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| Canonical SMILES |
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(CCN2CCOCC2)cc1
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| InChI |
InChI=1S/C31H36FN3O4/c1-20(2)39-30(37)25-18-35(19-31(3,4)27-24-10-9-23(32)17-26(24)33-28(25)27)29(36)22-7-5-21(6-8-22)11-12-34-13-15-38-16-14-34/h5-10,17-18,20,33H,11-16,19H2,1-4H3
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| InChIKey |
YJWHMYDMXXRPCY-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