General Information of the Compound
| Compound ID |
CP0486452
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| Compound Name |
(1S,2S)-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylamino]phenyl]-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C30H28F3N3OS
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| Molecular Weight |
535.635
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| Canonical SMILES |
C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1)c1ccccc1
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| InChI |
InChI=1S/C30H28F3N3OS/c1-18(20-6-4-3-5-7-20)35-28(37)26-16-25(26)21-10-14-24(15-11-21)34-17-27-19(2)36-29(38-27)22-8-12-23(13-9-22)30(31,32)33/h3-15,18,25-26,34H,16-17H2,1-2H3,(H,35,37)/t18-,25-,26+/m1/s1
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| InChIKey |
DSOTYBNMOMOZOX-IHMJZKOGSA-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