General Information of the Compound
| Compound ID |
CP0472951
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| Compound Name |
3-benzyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
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| Structure |
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| Formula |
C27H32N4O
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| Molecular Weight |
428.58
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| Canonical SMILES |
CC(C)Cc1cc(CNC(=O)C2C3CN(Cc4ccccc4)CC23)nn1-c1ccccc1
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| InChI |
InChI=1S/C27H32N4O/c1-19(2)13-23-14-21(29-31(23)22-11-7-4-8-12-22)15-28-27(32)26-24-17-30(18-25(24)26)16-20-9-5-3-6-10-20/h3-12,14,19,24-26H,13,15-18H2,1-2H3,(H,28,32)
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| InChIKey |
XSMGEMJWPJTAKN-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