General Information of the Compound
| Compound ID |
CP0513291
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| Compound Name |
N-[[(2R)-1-[4-(butylamino)-6-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-3-chlorobenzenesulfonamide
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| Structure |
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| Formula |
C26H31ClN8O2S3
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| Molecular Weight |
619.242
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| Canonical SMILES |
CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H31ClN8O2S3/c1-2-3-11-28-24-32-25(29-15-19-17-39-23(31-19)22-10-6-13-38-22)34-26(33-24)35-12-5-8-20(35)16-30-40(36,37)21-9-4-7-18(27)14-21/h4,6-7,9-10,13-14,17,20,30H,2-3,5,8,11-12,15-16H2,1H3,(H2,28,29,32,33,34)/t20-/m1/s1
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| InChIKey |
FOBXXPHCATYEQV-HXUWFJFHSA-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