General Information of the Compound
| Compound ID |
CP0523353
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| Compound Name |
N-[[(2R)-1-[4-(butylamino)-6-[(3-methylphenyl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
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| Structure |
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| Formula |
C29H41N7O2S
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| Molecular Weight |
551.761
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| Canonical SMILES |
CCCCNc1nc(NCc2cccc(C)c2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
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| InChI |
InChI=1S/C29H41N7O2S/c1-4-6-17-30-27-33-28(31-20-24-11-7-10-22(3)19-24)35-29(34-27)36-18-8-12-25(36)21-32-39(37,38)26-15-13-23(9-5-2)14-16-26/h7,10-11,13-16,19,25,32H,4-6,8-9,12,17-18,20-21H2,1-3H3,(H2,30,31,33,34,35)/t25-/m1/s1
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| InChIKey |
YTWFUMIEHKSPPN-RUZDIDTESA-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