General Information of the Compound
| Compound ID |
CP0485446
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| Compound Name |
4-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
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| Structure |
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| Formula |
C25H25N3O2S
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| Molecular Weight |
431.561
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| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc12
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| InChI |
InChI=1S/C25H25N3O2S/c26-21-10-12-22(13-11-21)31(29,30)28-18-24(23-8-4-5-9-25(23)28)20-14-15-27(17-20)16-19-6-2-1-3-7-19/h1-13,18,20H,14-17,26H2
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| InChIKey |
WABXECNSEHBCHO-UHFFFAOYSA-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