General Information of the Compound
| Compound ID |
CP0578970
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| Compound Name |
3-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2,3-diamine
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| Structure |
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| Formula |
C21H23Cl2FN6
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| Molecular Weight |
449.361
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| Canonical SMILES |
CC(Nc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C21H23Cl2FN6/c1-12(19-16(22)2-3-17(24)20(19)23)29-18-8-13(9-27-21(18)25)14-10-28-30(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26,29H,4-7H2,1H3,(H2,25,27)
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| InChIKey |
DNFVBLHXRXSZDT-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