General Information of the Compound
| Compound ID |
CP0452610
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| Compound Name |
6-methyl-N-((2S)-2-(1-phenylethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide
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| Structure |
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| Formula |
C32H29F3N2O
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| Molecular Weight |
514.591
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| Canonical SMILES |
CC(N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1)c1ccccc1
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| InChI |
InChI=1S/C32H29F3N2O/c1-20-7-6-10-29(30(20)23-11-14-26(15-12-23)32(33,34)35)31(38)37-27-16-13-24-17-28(19-25(24)18-27)36-21(2)22-8-4-3-5-9-22/h3-16,18,21,28,36H,17,19H2,1-2H3,(H,37,38)/t21?,28-/m0/s1
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| InChIKey |
JWYGHODMDMKPPK-QVWGJOIVSA-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
Protein ID: PT02750, Microsomal triglyceride transfer protein large subunit
Protein ID: PT02397, Protein smoothened
Protein ID: PT04361, Protein smoothened