General Information of the Compound
| Compound ID |
CP0401255
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| Compound Name |
(1S,2S)-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylamino]phenyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C26H27F3N4OS
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| Molecular Weight |
500.59
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| Canonical SMILES |
Cc1nc(sc1CNc1ccc(cc1)[C@H]1C[C@@H]1C(=O)NC1CCNC1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N4OS/c1-15-23(35-25(32-15)17-2-6-18(7-3-17)26(27,28)29)14-31-19-8-4-16(5-9-19)21-12-22(21)24(34)33-20-10-11-30-13-20/h2-9,20-22,30-31H,10-14H2,1H3,(H,33,34)/t20?,21-,22+/m1/s1
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| InChIKey |
KAZCVKAOXNOPOL-PDQYLBCOSA-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