General Information of the Compound
| Compound ID |
CP0452222
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| Compound Name |
N-[[(2R)-1-[4-(butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
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| Structure |
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| Formula |
C24H39N7O2S
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| Molecular Weight |
489.69
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| Canonical SMILES |
CCCCNc1nc(NC(C)C)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
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| InChI |
InChI=1S/C24H39N7O2S/c1-5-7-15-25-22-28-23(27-18(3)4)30-24(29-22)31-16-8-10-20(31)17-26-34(32,33)21-13-11-19(9-6-2)12-14-21/h11-14,18,20,26H,5-10,15-17H2,1-4H3,(H2,25,27,28,29,30)/t20-/m1/s1
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| InChIKey |
KDSPWSIGYJMQHJ-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