General Information of the Compound
| Compound ID |
CP0436475
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| Compound Name |
(5-{[(4-Methoxy-benzyl)-propyl-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
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| Structure |
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| Formula |
C22H21Cl3F3N3OS
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| Molecular Weight |
538.85
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| Canonical SMILES |
CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(OC)cc1
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| InChI |
InChI=1S/C22H21Cl3F3N3OS/c1-3-8-31(11-13-4-6-15(32-2)7-5-13)12-18-20(22(26,27)28)30-21(33-18)29-19-16(24)9-14(23)10-17(19)25/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,29,30)
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| InChIKey |
MIRVXAPXRDRQMT-UHFFFAOYSA-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