General Information of the Compound
| Compound ID |
CP0402846
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| Compound Name |
methyl 1-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]indazole-4-carboxylate
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| Structure |
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| Formula |
C17H17N3O3
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| Molecular Weight |
311.341
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| Canonical SMILES |
COC(=O)c1cccc2n(ncc12)-c1cncc(c1)C(C)(C)O
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| InChI |
InChI=1S/C17H17N3O3/c1-17(2,22)11-7-12(9-18-8-11)20-15-6-4-5-13(16(21)23-3)14(15)10-19-20/h4-10,22H,1-3H3
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| InChIKey |
PKLUUQCHFDVAHE-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