General Information of the Compound
| Compound ID |
CP0919322
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| Compound Name |
4-Methoxy-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C21H25N3O3S
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| Molecular Weight |
399.516
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| Canonical SMILES |
COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1
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| InChI |
InChI=1S/C21H25N3O3S/c1-24-11-3-4-17(24)12-15-14-22-21-10-5-16(13-20(15)21)23-28(25,26)19-8-6-18(27-2)7-9-19/h5-10,13-14,17,22-23H,3-4,11-12H2,1-2H3/t17-/m1/s1
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| InChIKey |
YWZXVSGZOKGKHU-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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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