General Information of the Compound
| Compound ID |
CP0731646
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| Compound Name |
cis-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-3-(3-(trifluoromethyl)benzylamino)cyclopentanecarboxamide 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C28H30F6N4O5S
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| Molecular Weight |
648.626
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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)C3)sc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H29F3N4O3S.C2HF3O2/c1-4-33(15(2)34)20-10-11-21(36-3)22-23(20)37-25(31-22)32-24(35)17-8-9-19(13-17)30-14-16-6-5-7-18(12-16)26(27,28)29;3-2(4,5)1(6)7/h5-7,10-12,17,19,30H,4,8-9,13-14H2,1-3H3,(H,31,32,35);(H,6,7)/t17-,19+;/m1./s1
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| InChIKey |
UGAISIGCFAXUGN-ZFNKBKEPSA-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