General Information of the Compound
| Compound ID |
CP0392885
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| Compound Name |
(2S)-2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-N-[4-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-3-phenylpropanamide
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| Structure |
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| Formula |
C34H23BrF6N4O2S
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| Molecular Weight |
745.543
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| Canonical SMILES |
FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(Br)ccc32)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C34H23BrF6N4O2S/c35-24-8-11-28-29(17-24)48-32-44-27(18-45(28)32)21-6-9-25(10-7-21)42-31(47)26(14-19-4-2-1-3-5-19)43-30(46)15-20-12-22(33(36,37)38)16-23(13-20)34(39,40)41/h1-13,16-18,26H,14-15H2,(H,42,47)(H,43,46)/t26-/m0/s1
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| InChIKey |
LXAIOMVXAKICRS-SANMLTNESA-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