General Information of the Compound
| Compound ID |
CP0446790
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| Compound Name |
3-methyl-4-[(5R)-5-pyrazin-2-yloxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzonitrile
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| Structure |
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| Formula |
C18H15N5O
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| Molecular Weight |
317.352
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| Canonical SMILES |
Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1cnccn1)C#N
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| InChI |
InChI=1S/C18H15N5O/c1-12-6-13(8-19)2-3-15(12)16-9-22-23-11-14(7-17(16)23)24-18-10-20-4-5-21-18/h2-6,9-10,14H,7,11H2,1H3/t14-/m1/s1
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| InChIKey |
VUMFSQDPDMXMHN-CQSZACIVSA-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