General Information of the Compound
| Compound ID |
CP0446326
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| Compound Name |
N-[[(2R)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
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| Structure |
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| Formula |
C30H38N8O2S2
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| Molecular Weight |
606.822
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| Canonical SMILES |
CCCNc1nc(NCc2csc(n2)-c2ccccc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
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| InChI |
InChI=1S/C30H38N8O2S2/c1-3-9-22-13-15-26(16-14-22)42(39,40)33-20-25-12-8-18-38(25)30-36-28(31-17-4-2)35-29(37-30)32-19-24-21-41-27(34-24)23-10-6-5-7-11-23/h5-7,10-11,13-16,21,25,33H,3-4,8-9,12,17-20H2,1-2H3,(H2,31,32,35,36,37)/t25-/m1/s1
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| InChIKey |
NKFPLXBNRVEXKC-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