General Information of the Compound
| Compound ID |
CP0579650
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| Compound Name |
(1S,2R,6R,7R)-N-(2,3-dichlorophenyl)-5-pyridin-3-yl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene-2-carboxamide
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| Structure |
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| Formula |
C20H17Cl2N3O2
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| Molecular Weight |
402.281
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| Canonical SMILES |
Clc1cccc(NC(=O)[C@]23ON=C([C@H]2[C@@H]2CC[C@H]3C2)c2cccnc2)c1Cl
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| InChI |
InChI=1S/C20H17Cl2N3O2/c21-14-4-1-5-15(17(14)22)24-19(26)20-13-7-6-11(9-13)16(20)18(25-27-20)12-3-2-8-23-10-12/h1-5,8,10-11,13,16H,6-7,9H2,(H,24,26)/t11-,13+,16-,20-/m1/s1
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| InChIKey |
FKUQLNAMXAZHGG-VIJAYCRASA-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