General Information of the Compound
| Compound ID |
CP0576815
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| Compound Name |
5-chloro-2-N-(4-thiophen-3-ylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H14ClF3N4S
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| Molecular Weight |
446.885
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cc3)-c3ccsc3)ncc2Cl)c1
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| InChI |
InChI=1S/C21H14ClF3N4S/c22-18-11-26-20(28-16-6-4-13(5-7-16)14-8-9-30-12-14)29-19(18)27-17-3-1-2-15(10-17)21(23,24)25/h1-12H,(H2,26,27,28,29)
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| InChIKey |
RHCGVRDKBMISGQ-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