General Information of the Compound
| Compound ID |
CP0396420
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| Compound Name |
4-[(5R)-5-methoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3-methylbenzonitrile
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| Structure |
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| Formula |
C15H15N3O
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| Molecular Weight |
253.305
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| Canonical SMILES |
CO[C@@H]1Cc2c(cnn2C1)-c1ccc(cc1C)C#N
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| InChI |
InChI=1S/C15H15N3O/c1-10-5-11(7-16)3-4-13(10)14-8-17-18-9-12(19-2)6-15(14)18/h3-5,8,12H,6,9H2,1-2H3/t12-/m1/s1
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| InChIKey |
LFTOGGYWYLISEO-GFCCVEGCSA-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