General Information of the Compound
| Compound ID |
CP0406580
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| Compound Name |
US9353081, 61
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| Structure |
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| Formula |
C19H21N3O
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| Molecular Weight |
307.397
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| Canonical SMILES |
CN1C(=O)CCc2cc(ccc12)-c1cncc2[C@H](N)CCCc12
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| InChI |
InChI=1S/C19H21N3O/c1-22-18-7-5-12(9-13(18)6-8-19(22)23)15-10-21-11-16-14(15)3-2-4-17(16)20/h5,7,9-11,17H,2-4,6,8,20H2,1H3/t17-/m1/s1
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| InChIKey |
PNXQJOWNYRUIIT-QGZVFWFLSA-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