General Information of the Compound
| Compound ID |
CP0523351
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| Compound Name |
N-[[(2R)-1-[4-(but-3-enylamino)-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C28H32N8O2S2
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| Molecular Weight |
576.752
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| Canonical SMILES |
C=CCCNc1nc(NCc2csc(n2)-c2ccccc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H32N8O2S2/c1-2-3-16-29-26-33-27(30-18-22-20-39-25(32-22)21-11-6-4-7-12-21)35-28(34-26)36-17-10-13-23(36)19-31-40(37,38)24-14-8-5-9-15-24/h2,4-9,11-12,14-15,20,23,31H,1,3,10,13,16-19H2,(H2,29,30,33,34,35)/t23-/m1/s1
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| InChIKey |
SZDHHWFNRUURDS-HSZRJFAPSA-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