General Information of the Compound
| Compound ID |
CP0456856
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| Compound Name |
(1S,2S)-N,N-dimethyl-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylamino]phenyl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C24H24F3N3OS
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| Molecular Weight |
459.537
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| Canonical SMILES |
CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(NCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H24F3N3OS/c1-14-21(32-22(29-14)16-4-8-17(9-5-16)24(25,26)27)13-28-18-10-6-15(7-11-18)19-12-20(19)23(31)30(2)3/h4-11,19-20,28H,12-13H2,1-3H3/t19-,20+/m1/s1
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| InChIKey |
IEUSVPFRLPQPBL-UXHICEINSA-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