General Information of the Compound
| Compound ID |
CP0315163
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| Compound Name |
(3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)phenyl)methanol
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| Structure |
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| Formula |
C18H16N6O
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| Molecular Weight |
332.367
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| Canonical SMILES |
OCc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
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| InChI |
InChI=1S/C18H16N6O/c25-11-12-3-1-4-13(9-12)21-18-19-8-7-17(23-18)22-15-5-2-6-16-14(15)10-20-24-16/h1-10,25H,11H2,(H,20,24)(H2,19,21,22,23)
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| InChIKey |
CJTMOSFXPIKVIP-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