General Information of the Compound
| Compound ID |
CP0529884
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| Compound Name |
2-(5-Chloro-2-methoxy-phenyl)-N-(1H-indazol-6-yl)-pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C18H15ClN6O
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| Molecular Weight |
366.812
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| Canonical SMILES |
COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc3c[nH]nc3c2)n1
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| InChI |
InChI=1S/C18H15ClN6O/c1-26-15-5-3-11(19)6-13(15)18-23-16(20)8-17(24-18)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24)
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| InChIKey |
NWDSUYQWSHAINV-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