General Information of the Compound
| Compound ID |
CP0145152
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| Compound Name |
methyl (3S)-2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
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| Structure |
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| Formula |
C20H20N2O4S
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| Molecular Weight |
384.457
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| Canonical SMILES |
COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(C)cc1)[nH]c1ccccc21
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| InChI |
InChI=1S/C20H20N2O4S/c1-13-7-9-14(10-8-13)27(24,25)22-12-18-16(11-19(22)20(23)26-2)15-5-3-4-6-17(15)21-18/h3-10,19,21H,11-12H2,1-2H3/t19-/m0/s1
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| InChIKey |
AVOVERVPDMHXIG-IBGZPJMESA-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