General Information of the Compound
| Compound ID |
CP0578307
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| Compound Name |
5-chloro-2-N-(3-nitro-5-thiophen-3-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H12ClF3N6O2S
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| Molecular Weight |
492.87
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| Canonical SMILES |
[O-][N+](=O)c1cc(cnc1Nc1ncc(Cl)c(Nc2cccc(c2)C(F)(F)F)n1)-c1ccsc1
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| InChI |
InChI=1S/C20H12ClF3N6O2S/c21-15-9-26-19(28-17(15)27-14-3-1-2-13(7-14)20(22,23)24)29-18-16(30(31)32)6-12(8-25-18)11-4-5-33-10-11/h1-10H,(H2,25,26,27,28,29)
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| InChIKey |
LHNBRBPQHIBQIE-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