General Information of the Compound
| Compound ID |
CP0284154
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| Compound Name |
N-[(1S,3R)-3-[[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]carbamoyl]cyclopentyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C26H27F3N4O4S
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| Molecular Weight |
548.587
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C26H27F3N4O4S/c1-4-33(14(2)34)19-10-11-20(37-3)21-22(19)38-25(31-21)32-24(36)16-8-9-18(13-16)30-23(35)15-6-5-7-17(12-15)26(27,28)29/h5-7,10-12,16,18H,4,8-9,13H2,1-3H3,(H,30,35)(H,31,32,36)/t16-,18+/m1/s1
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| InChIKey |
NCWRSHWNMYHJMN-AEFFLSMTSA-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