General Information of the Compound
| Compound ID |
CP0478375
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| Compound Name |
3-chloro-4-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzonitrile
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| Structure |
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| Formula |
C13H10ClN3
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| Molecular Weight |
243.697
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| Canonical SMILES |
Clc1cc(ccc1-c1cnn2CCCc12)C#N
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| InChI |
InChI=1S/C13H10ClN3/c14-12-6-9(7-15)3-4-10(12)11-8-16-17-5-1-2-13(11)17/h3-4,6,8H,1-2,5H2
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| InChIKey |
WIEZIVNMTIKULD-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial