General Information of the Compound
| Compound ID |
CP0569812
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| Compound Name |
(1S,2R,6R,7R)-N-(4-methoxyphenyl)-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 |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
COc1ccc(NC(=O)[C@]23ON=C([C@H]2[C@@H]2CC[C@H]3C2)c2cccnc2)cc1
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| InChI |
InChI=1S/C21H21N3O3/c1-26-17-8-6-16(7-9-17)23-20(25)21-15-5-4-13(11-15)18(21)19(24-27-21)14-3-2-10-22-12-14/h2-3,6-10,12-13,15,18H,4-5,11H2,1H3,(H,23,25)/t13-,15+,18-,21-/m1/s1
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| InChIKey |
YOXXHIRKEFPSRQ-SWQHDHIYSA-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