General Information of the Compound
| Compound ID |
CP0399781
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| Compound Name |
5-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-4-methyl-thiazol-2-ylamine
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| Structure |
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| Formula |
C23H24N4O2S2
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| Molecular Weight |
452.605
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| Canonical SMILES |
Cc1nc(N)sc1S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc12
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| InChI |
InChI=1S/C23H24N4O2S2/c1-16-22(30-23(24)25-16)31(28,29)27-15-20(19-9-5-6-10-21(19)27)18-11-12-26(14-18)13-17-7-3-2-4-8-17/h2-10,15,18H,11-14H2,1H3,(H2,24,25)
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| InChIKey |
VKTXPTDFLCKRFX-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