General Information of the Compound
| Compound ID |
CP0449936
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| Compound Name |
N-[[(2R)-1-[4-(butylamino)-6-[(4-butylphenyl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
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| Structure |
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| Formula |
C32H47N7O2S
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| Molecular Weight |
593.842
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| Canonical SMILES |
CCCCNc1nc(NCc2ccc(CCCC)cc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
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| InChI |
InChI=1S/C32H47N7O2S/c1-4-7-11-26-13-15-27(16-14-26)23-34-31-36-30(33-21-8-5-2)37-32(38-31)39-22-9-12-28(39)24-35-42(40,41)29-19-17-25(10-6-3)18-20-29/h13-20,28,35H,4-12,21-24H2,1-3H3,(H2,33,34,36,37,38)/t28-/m1/s1
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| InChIKey |
JZCLNDMGTJCDOY-MUUNZHRXSA-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