General Information of the Compound
| Compound ID |
CP0461811
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| Compound Name |
3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-6-methylpyrimidin-4-yl]amino]piperidin-1-yl]propanoic acid
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| Structure |
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| Formula |
C28H48N10O2
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| Molecular Weight |
556.76
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| Canonical SMILES |
Cc1cc(NC2CCN(CCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
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| InChI |
InChI=1S/C28H48N10O2/c1-22-19-26(33-24-9-16-37(17-10-24)18-11-27(39)40)34-28(32-22)31-20-25-21-38(36-35-25)15-6-13-29-12-5-14-30-23-7-3-2-4-8-23/h19,21,23-24,29-30H,2-18,20H2,1H3,(H,39,40)(H2,31,32,33,34)
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| InChIKey |
AISWCYHMKZDOLT-UHFFFAOYSA-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