General Information of the Compound
| Compound ID |
CP0081601
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| Compound Name |
(R)-2-(1,3-dichloro-7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
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| Structure |
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| Formula |
C21H19Cl2FN2O4S
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| Molecular Weight |
485.364
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3c(Cl)cc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H19Cl2FN2O4S/c1-25(31(29,30)15-5-2-13(24)3-6-15)14-4-7-18-16(10-20(27)28)21-17(23)8-12(22)9-19(21)26(18)11-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,27,28)/t14-/m1/s1
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| InChIKey |
VCDLMAGYVHUZLO-CQSZACIVSA-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