General Information of the Compound
| Compound ID |
CP0553140
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| Compound Name |
5-chloro-2-N-(3-phenylpropyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C20H18ClF3N4
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| Molecular Weight |
406.839
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(NCCCc3ccccc3)ncc2Cl)c1
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| InChI |
InChI=1S/C20H18ClF3N4/c21-17-13-26-19(25-11-5-8-14-6-2-1-3-7-14)28-18(17)27-16-10-4-9-15(12-16)20(22,23)24/h1-4,6-7,9-10,12-13H,5,8,11H2,(H2,25,26,27,28)
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| InChIKey |
BDJBQDWXWDLZTM-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