General Information of the Compound
| Compound ID |
CP0063402
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| Compound Name |
(S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)propylamino)thiazol-5-yl)-1-methyl-1H-benzo[d]imidazol-2(3H)-one
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| Structure |
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| Formula |
C21H20F3N5OS
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| Molecular Weight |
447.486
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| Canonical SMILES |
Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1
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| InChI |
InChI=1S/C21H20F3N5OS/c1-29-17-9-13(4-7-16(17)28-20(29)30)18-11-27-19(31-18)26-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H,26,27)(H,28,30)/t15-/m0/s1
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| InChIKey |
FLAQHSSOAXIOIA-HNNXBMFYSA-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