General Information of the Compound
| Compound ID |
CP0523119
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| Compound Name |
N'-(cyclopropylmethyl)-N,N-dimethyl-N'-[[2-(2,4,6-trichloroanilino)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
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| Structure |
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| Formula |
C19H22Cl3F3N4S
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| Molecular Weight |
501.833
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| Canonical SMILES |
CN(C)CCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
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| InChI |
InChI=1S/C19H22Cl3F3N4S/c1-28(2)5-6-29(9-11-3-4-11)10-15-17(19(23,24)25)27-18(30-15)26-16-13(21)7-12(20)8-14(16)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,26,27)
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| InChIKey |
IICKNDLOOPCZIA-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