General Information of the Compound
| Compound ID |
CP0148459
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| Compound Name |
8-[(4-methylpiperazin-1-yl)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C13H17N5O
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| Molecular Weight |
259.313
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| Canonical SMILES |
CN1CCN(Cc2nccc3c2nc[nH]c3=O)CC1
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| InChI |
InChI=1S/C13H17N5O/c1-17-4-6-18(7-5-17)8-11-12-10(2-3-14-11)13(19)16-9-15-12/h2-3,9H,4-8H2,1H3,(H,15,16,19)
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| InChIKey |
DTTVPSIXIYXSPM-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