General Information of the Compound
| Compound ID |
CP0969860
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| Compound Name |
1-(6,7-Dichloro-9b-(4,6-difluoro-1H-indol-3-yl)-1,3,4,9b-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-hydroxyethan-1-one
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| Structure |
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| Formula |
C21H15Cl2F2N3O2
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| Molecular Weight |
450.272
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| Canonical SMILES |
O=C(CO)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(c2c[nH]c3cc(F)cc(F)c23)C1
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| InChI |
InChI=1S/C21H15Cl2F2N3O2/c22-13-2-1-11-20(19(13)23)27-16-3-4-28(17(30)8-29)9-21(11,16)12-7-26-15-6-10(24)5-14(25)18(12)15/h1-2,5-7,26,29H,3-4,8-9H2
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| InChIKey |
YQPHVKHOHUERKY-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