General Information of the Compound
| Compound ID |
CP0402875
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| Compound Name |
4-{[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-ylamino]-methyl}-phenol
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| Structure |
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| Formula |
C21H18Cl2N4O
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| Molecular Weight |
413.308
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| Canonical SMILES |
Cc1cc(NCc2ccc(O)cc2)c2n(C)nc(-c3ccc(Cl)cc3Cl)c2n1
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| InChI |
InChI=1S/C21H18Cl2N4O/c1-12-9-18(24-11-13-3-6-15(28)7-4-13)21-20(25-12)19(26-27(21)2)16-8-5-14(22)10-17(16)23/h3-10,28H,11H2,1-2H3,(H,24,25)
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| InChIKey |
LOVIISDOIGROSZ-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