General Information of the Compound
| Compound ID |
CP0462193
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| Compound Name |
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methoxy-4-N-piperidin-4-ylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C25H44N10O
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| Molecular Weight |
500.696
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| Canonical SMILES |
COc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
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| InChI |
InChI=1S/C25H44N10O/c1-36-24-17-23(30-21-9-14-27-15-10-21)31-25(32-24)29-18-22-19-35(34-33-22)16-6-12-26-11-5-13-28-20-7-3-2-4-8-20/h17,19-21,26-28H,2-16,18H2,1H3,(H2,29,30,31,32)
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| InChIKey |
CCPBQWVTGQTCJX-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