General Information of the Compound
| Compound ID |
CP0471474
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| Compound Name |
1-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CC3(COC3)C2)cc1
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| InChI |
InChI=1S/C26H27N5O2/c1-30-9-7-21-19(11-17-3-5-18(6-4-17)22-8-10-31(2)29-22)12-23(28-24(21)30)25(32)27-20-13-26(14-20)15-33-16-26/h3-10,12,20H,11,13-16H2,1-2H3,(H,27,32)
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| InChIKey |
ZKZTUHIYKGGHNG-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