General Information of the Compound
| Compound ID |
CP0564047
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| Compound Name |
3-methyl-4-[(5R)-5-phenylmethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzonitrile
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| Structure |
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| Formula |
C21H19N3O
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| Molecular Weight |
329.403
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| Canonical SMILES |
Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCc1ccccc1)C#N
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| InChI |
InChI=1S/C21H19N3O/c1-15-9-17(11-22)7-8-19(15)20-12-23-24-13-18(10-21(20)24)25-14-16-5-3-2-4-6-16/h2-9,12,18H,10,13-14H2,1H3/t18-/m1/s1
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| InChIKey |
XSKMJMOUBYSALM-GOSISDBHSA-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial