General Information of the Compound
| Compound ID |
CP0349029
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| Compound Name |
N-methyl-N'-[1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C19H27N5
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| Molecular Weight |
325.46
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| Canonical SMILES |
CNCCNC1CCN(CC1)c1cccc(c1)-c1ccnc(C)n1
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| InChI |
InChI=1S/C19H27N5/c1-15-21-9-6-19(23-15)16-4-3-5-18(14-16)24-12-7-17(8-13-24)22-11-10-20-2/h3-6,9,14,17,20,22H,7-8,10-13H2,1-2H3
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| InChIKey |
AZRIRIBBYOWMJR-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