General Information of the Compound
| Compound ID |
CP0048791
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| Compound Name |
(1R,8S,10S)-3-(3,4-dichlorophenyl)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-pentyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
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| Structure |
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| Formula |
C28H35Cl2N
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| Molecular Weight |
456.501
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| Canonical SMILES |
CCCCCN1[C@@H](CC(C)=C)[C@H]2c3c(cccc3-c3ccc(Cl)c(Cl)c3)[C@@H]1CC2(C)C
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| InChI |
InChI=1S/C28H35Cl2N/c1-6-7-8-14-31-24(15-18(2)3)27-26-20(19-12-13-22(29)23(30)16-19)10-9-11-21(26)25(31)17-28(27,4)5/h9-13,16,24-25,27H,2,6-8,14-15,17H2,1,3-5H3/t24-,25-,27-/m0/s1
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| InChIKey |
FCRYRXHPYYDEHM-KLJDGLGGSA-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