General Information of the Compound
| Compound ID |
CP0408577
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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]-4-hydroxybenzenesulfonamide
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| Structure |
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| Formula |
C26H32N8O3S3
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| Molecular Weight |
600.796
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| Canonical SMILES |
CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C26H32N8O3S3/c1-2-3-12-27-24-31-25(28-15-18-17-39-23(30-18)22-7-5-14-38-22)33-26(32-24)34-13-4-6-19(34)16-29-40(36,37)21-10-8-20(35)9-11-21/h5,7-11,14,17,19,29,35H,2-4,6,12-13,15-16H2,1H3,(H2,27,28,31,32,33)/t19-/m1/s1
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| InChIKey |
UNRIQSYPMLOPEU-LJQANCHMSA-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