General Information of the Compound
| Compound ID |
CP0402005
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| Compound Name |
(S)-N-(2-(benzylamino)-2,3-dihydro-1H-inden-5-yl)-6-methyl-4'-(trifluoromethyl)biphenyl-2-carboxamide
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| Structure |
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| Formula |
C31H27F3N2O
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| Molecular Weight |
500.564
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| Canonical SMILES |
Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NCc2ccccc2)c1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H27F3N2O/c1-20-6-5-9-28(29(20)22-10-13-25(14-11-22)31(32,33)34)30(37)36-26-15-12-23-16-27(18-24(23)17-26)35-19-21-7-3-2-4-8-21/h2-15,17,27,35H,16,18-19H2,1H3,(H,36,37)/t27-/m0/s1
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| InChIKey |
CBSYYIOBMXSLKK-MHZLTWQESA-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: PT02397, Protein smoothened
Protein ID: PT04361, Protein smoothened