General Information of the Compound
| Compound ID |
CP0534191
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| Compound Name |
N-[[(2R)-1-[4-(butylamino)-6-[(6-methylpyridin-2-yl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
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| Structure |
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| Formula |
C28H40N8O2S
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| Molecular Weight |
552.749
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| Canonical SMILES |
CCCCNc1nc(NCc2cccc(C)n2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
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| InChI |
InChI=1S/C28H40N8O2S/c1-4-6-17-29-26-33-27(30-19-23-11-7-10-21(3)32-23)35-28(34-26)36-18-8-12-24(36)20-31-39(37,38)25-15-13-22(9-5-2)14-16-25/h7,10-11,13-16,24,31H,4-6,8-9,12,17-20H2,1-3H3,(H2,29,30,33,34,35)/t24-/m1/s1
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| InChIKey |
RISSVAOTOJMTKY-XMMPIXPASA-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