General Information of the Compound
| Compound ID |
CP0513846
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| Compound Name |
N-[[(2R)-1-[4-[methyl(propyl)amino]-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
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| Structure |
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| Formula |
C31H40N8O2S2
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| Molecular Weight |
620.849
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| Canonical SMILES |
CCCN(C)c1nc(NCc2csc(n2)-c2ccccc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
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| InChI |
InChI=1S/C31H40N8O2S2/c1-4-10-23-14-16-27(17-15-23)43(40,41)33-21-26-13-9-19-39(26)31-36-29(35-30(37-31)38(3)18-5-2)32-20-25-22-42-28(34-25)24-11-7-6-8-12-24/h6-8,11-12,14-17,22,26,33H,4-5,9-10,13,18-21H2,1-3H3,(H,32,35,36,37)/t26-/m1/s1
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| InChIKey |
JRHIVNLGKRZILO-AREMUKBSSA-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