General Information of the Compound
| Compound ID |
CP0258762
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| Compound Name |
3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-ylamino)-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C21H21N7O
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| Molecular Weight |
387.447
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| Canonical SMILES |
CN(C)C(=O)c1cccc(Nc2nccc(n2)N(C)c2cccc3[nH]ncc23)c1
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| InChI |
InChI=1S/C21H21N7O/c1-27(2)20(29)14-6-4-7-15(12-14)24-21-22-11-10-19(25-21)28(3)18-9-5-8-17-16(18)13-23-26-17/h4-13H,1-3H3,(H,23,26)(H,22,24,25)
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| InChIKey |
AXNPQTPNOPBAQE-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