General Information of the Compound
| Compound ID |
CP0969739
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| Compound Name |
1-(6,7-Dichloro 9b-(6-methoxy-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 |
C22H19Cl2N3O3
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| Molecular Weight |
444.318
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| Canonical SMILES |
COc1ccc2c(C34CN(C(=O)CO)CCC3=Nc3c4ccc(Cl)c3Cl)c[nH]c2c1
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| InChI |
InChI=1S/C22H19Cl2N3O3/c1-30-12-2-3-13-15(9-25-17(13)8-12)22-11-27(19(29)10-28)7-6-18(22)26-21-14(22)4-5-16(23)20(21)24/h2-5,8-9,25,28H,6-7,10-11H2,1H3
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| InChIKey |
WRZFSLMMKNRSPT-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