General Information of the Compound
| Compound ID |
CP0515648
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| Compound Name |
1-(4-Methoxy-benzenesulfonyl)-3-(S)-1-pyrrolidin-2-ylmethyl-1H-indole
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| Structure |
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| Formula |
C20H22N2O3S
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| Molecular Weight |
370.474
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)n1cc(C[C@@H]2CCCN2)c2ccccc12
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| InChI |
InChI=1S/C20H22N2O3S/c1-25-17-8-10-18(11-9-17)26(23,24)22-14-15(13-16-5-4-12-21-16)19-6-2-3-7-20(19)22/h2-3,6-11,14,16,21H,4-5,12-13H2,1H3/t16-/m0/s1
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| InChIKey |
LWXVHHXBXDVAJJ-INIZCTEOSA-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