General Information of the Compound
| Compound ID |
CP0538394
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| Compound Name |
5-(4-piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine
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| Structure |
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| Formula |
C26H31N5O2S
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| Molecular Weight |
477.634
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| Canonical SMILES |
CCCS(=O)(=O)N1CCc2ccc(cc12)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C26H31N5O2S/c1-2-15-34(32,33)31-12-9-20-3-4-21(17-25(20)31)24-16-22(18-29-26(24)27)19-5-7-23(8-6-19)30-13-10-28-11-14-30/h3-8,16-18,28H,2,9-15H2,1H3,(H2,27,29)
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| InChIKey |
ZDVICHJOIZQDIK-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