General Information of the Compound
| Compound ID |
CP0387688
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| Compound Name |
US9353081, 15
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| Structure |
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
CC(O)C(=O)NC1CCCc2c1cncc2-c1ccc2N(C)C(=O)CCc2c1
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| InChI |
InChI=1S/C22H25N3O3/c1-13(26)22(28)24-19-5-3-4-16-17(11-23-12-18(16)19)14-6-8-20-15(10-14)7-9-21(27)25(20)2/h6,8,10-13,19,26H,3-5,7,9H2,1-2H3,(H,24,28)
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| InChIKey |
ABOAFLYBEQQYKZ-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