General Information of the Compound
| Compound ID |
CP0510097
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| Compound Name |
(S)-6-methyl-N-(2-(quinolin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4'-(trifluoromethyl)biphenyl-2-carboxamide
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| Structure |
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| Formula |
C34H28F3N3O
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| Molecular Weight |
551.612
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| Canonical SMILES |
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2cnc3ccccc3c2)c1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C34H28F3N3O/c1-21-5-4-7-30(32(21)23-9-12-27(13-10-23)34(35,36)37)33(41)40-28-14-11-24-16-29(18-26(24)17-28)38-19-22-15-25-6-2-3-8-31(25)39-20-22/h2-15,17,20,29,38H,16,18-19H2,1H3,(H,40,41)/t29-/m0/s1
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| InChIKey |
YFDHKSKGWQOQGC-LJAQVGFWSA-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: PT04361, Protein smoothened
Protein ID: PT02397, Protein smoothened