General Information of the Compound
| Compound ID |
CP0045070
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| Compound Name |
1-Benzenesulfonyl-5-chloro-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
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| Structure |
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| Formula |
C20H21ClN2O2S
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| Molecular Weight |
388.92
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| Canonical SMILES |
CN1CCC[C@@H]1Cc1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H21ClN2O2S/c1-22-11-5-6-17(22)12-15-14-23(20-10-9-16(21)13-19(15)20)26(24,25)18-7-3-2-4-8-18/h2-4,7-10,13-14,17H,5-6,11-12H2,1H3/t17-/m1/s1
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| InChIKey |
UKKAXWAHUHWUQF-QGZVFWFLSA-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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