General Information of the Compound
| Compound ID |
CP0205855
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| Compound Name |
6-benzyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C27H35N7
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| Molecular Weight |
457.626
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| Canonical SMILES |
CN1CCN(CCCNc2nc(nc3CCN(Cc4ccccc4)Cc23)-c2ccncc2)CC1
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| InChI |
InChI=1S/C27H35N7/c1-32-16-18-33(19-17-32)14-5-11-29-27-24-21-34(20-22-6-3-2-4-7-22)15-10-25(24)30-26(31-27)23-8-12-28-13-9-23/h2-4,6-9,12-13H,5,10-11,14-21H2,1H3,(H,29,30,31)
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| InChIKey |
KKFLLWARGPNMPF-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