General Information of the Compound
| Compound ID |
CP0545199
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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]cyclopropanesulfonamide
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| Structure |
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| Formula |
C25H32N8O2S2
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| Molecular Weight |
540.719
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| Canonical SMILES |
C=CCCNc1nc(NCc2csc(n2)-c2ccccc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C25H32N8O2S2/c1-2-3-13-26-23-30-24(27-15-19-17-36-22(29-19)18-8-5-4-6-9-18)32-25(31-23)33-14-7-10-20(33)16-28-37(34,35)21-11-12-21/h2,4-6,8-9,17,20-21,28H,1,3,7,10-16H2,(H2,26,27,30,31,32)/t20-/m1/s1
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| InChIKey |
MIQMZBDYWOVVGQ-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