General Information of the Compound
| Compound ID |
CP0449548
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| Compound Name |
(1S,2S)-N-cyclobutyl-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 |
C26H26F3N3OS
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| Molecular Weight |
485.575
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| Canonical SMILES |
Cc1nc(sc1CNc1ccc(cc1)[C@H]1C[C@@H]1C(=O)NC1CCC1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H26F3N3OS/c1-15-23(34-25(31-15)17-5-9-18(10-6-17)26(27,28)29)14-30-19-11-7-16(8-12-19)21-13-22(21)24(33)32-20-3-2-4-20/h5-12,20-22,30H,2-4,13-14H2,1H3,(H,32,33)/t21-,22+/m1/s1
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| InChIKey |
WZZZWQOSRLMHRG-YADHBBJMSA-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