General Information of the Compound
| Compound ID |
CP0552809
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| Compound Name |
ethyl 4-[[6,7-dichloro-2-(2-hydroxyacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-9b-yl]amino]benzoate
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| Structure |
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| Formula |
C22H21Cl2N3O4
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| Molecular Weight |
462.333
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| Canonical SMILES |
CCOC(=O)c1ccc(NC23CN(CCC2=Nc2c3ccc(Cl)c2Cl)C(=O)CO)cc1
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| InChI |
InChI=1S/C22H21Cl2N3O4/c1-2-31-21(30)13-3-5-14(6-4-13)26-22-12-27(18(29)11-28)10-9-17(22)25-20-15(22)7-8-16(23)19(20)24/h3-8,26,28H,2,9-12H2,1H3
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| InChIKey |
FYGFKZQPFMAFMP-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