General Information of the Compound
| Compound ID |
CP0129037
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| Compound Name |
(1R,8S,10S)-3-(3,4-dichlorophenyl)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
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| Structure |
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| Formula |
C23H25Cl2N
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| Molecular Weight |
386.366
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| Canonical SMILES |
CC(=C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1c2cccc1-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H25Cl2N/c1-13(2)10-19-22-21-15(14-8-9-17(24)18(25)11-14)6-5-7-16(21)20(26-19)12-23(22,3)4/h5-9,11,19-20,22,26H,1,10,12H2,2-4H3/t19-,20-,22-/m0/s1
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| InChIKey |
VDDOYZHUPMVKNZ-ONTIZHBOSA-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: PT05354, Cytochrome b-245 heavy chain
Protein ID: PT06100, NADPH oxidase 1
Protein ID: PT05074, NADPH oxidase 4
Protein ID: PT06215, NADPH oxidase 5