General Information of the Compound
| Compound ID |
CP0413956
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| Compound Name |
N-[[(2R)-1-[4-(butylamino)-6-(cyclopentylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
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| Structure |
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| Formula |
C26H41N7O2S
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| Molecular Weight |
515.728
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| Canonical SMILES |
CCCCNc1nc(NC2CCCC2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
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| InChI |
InChI=1S/C26H41N7O2S/c1-3-5-17-27-24-30-25(29-21-10-6-7-11-21)32-26(31-24)33-18-8-12-22(33)19-28-36(34,35)23-15-13-20(9-4-2)14-16-23/h13-16,21-22,28H,3-12,17-19H2,1-2H3,(H2,27,29,30,31,32)/t22-/m1/s1
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| InChIKey |
LVAUREZRKLTFCJ-JOCHJYFZSA-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