General Information of the Compound
| Compound ID |
CP0558543
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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]propanenitrile
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| Structure |
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| Formula |
C28H47N11
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| Molecular Weight |
537.761
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| Canonical SMILES |
Cc1cc(NC2CCN(CCC#N)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
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| InChI |
InChI=1S/C28H47N11/c1-23-20-27(34-25-10-18-38(19-11-25)16-5-12-29)35-28(33-23)32-21-26-22-39(37-36-26)17-7-14-30-13-6-15-31-24-8-3-2-4-9-24/h20,22,24-25,30-31H,2-11,13-19,21H2,1H3,(H2,32,33,34,35)
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| InChIKey |
QIZZDSRYRYUMOK-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