General Information of the Compound
| Compound ID |
CP0016543
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| Compound Name |
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCCCC2)cc1
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| InChI |
InChI=1S/C24H25N5O/c1-28-16-20(15-25-28)18-7-5-17(6-8-18)13-23-21-14-19(9-10-22(21)26-27-23)24(30)29-11-3-2-4-12-29/h5-10,14-16H,2-4,11-13H2,1H3,(H,26,27)
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| InChIKey |
GEANABGVEPQZHT-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