General Information of the Compound
| Compound ID |
CP0148608
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| Compound Name |
[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
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| Structure |
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| Formula |
C27H33N7O
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| Molecular Weight |
471.609
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc12)C(=O)c1ccccc1)-c1ccccn1
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| InChI |
InChI=1S/C27H33N7O/c1-31(2)14-15-32-16-18-33(19-17-32)26-22-20-34(27(35)21-8-4-3-5-9-21)13-11-23(22)29-25(30-26)24-10-6-7-12-28-24/h3-10,12H,11,13-20H2,1-2H3
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| InChIKey |
JQXYJGKUVRHMFA-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