General Information of the Compound
| Compound ID |
CP0914848
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| Compound Name |
3,4-Dichloro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C20H21Cl2N3O2S
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| Molecular Weight |
438.38
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| Canonical SMILES |
CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12
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| InChI |
InChI=1S/C20H21Cl2N3O2S/c1-25-8-2-3-15(25)9-13-12-23-20-7-4-14(10-17(13)20)24-28(26,27)16-5-6-18(21)19(22)11-16/h4-7,10-12,15,23-24H,2-3,8-9H2,1H3/t15-/m1/s1
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| InChIKey |
LMRKUSRHDIWEGP-OAHLLOKOSA-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