General Information of the Compound
| Compound ID |
CP0761378
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| Compound Name |
trans-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)benzylamino)cyclohexanecarboxamide 2,2,2-trifluoroacetate
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| Formula |
C29H32F6N4O5S
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| Molecular Weight |
662.653
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H31F3N4O3S.C2HF3O2/c1-4-34(16(2)35)21-12-13-22(37-3)23-24(21)38-26(32-23)33-25(36)18-8-10-20(11-9-18)31-15-17-6-5-7-19(14-17)27(28,29)30;3-2(4,5)1(6)7/h5-7,12-14,18,20,31H,4,8-11,15H2,1-3H3,(H,32,33,36);(H,6,7)/t18-,20-;
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| InChIKey |
IAEWBFRGKYYNAW-FFPCIGOZSA-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