General Information of the Compound
| Compound ID |
CP0148605
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| Compound Name |
2-[4-(6-benzyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C25H29N7O
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| Molecular Weight |
443.555
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| Canonical SMILES |
NC(=O)CN1CCN(CC1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1cccnc1
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| InChI |
InChI=1S/C25H29N7O/c26-23(33)18-30-11-13-32(14-12-30)25-21-17-31(16-19-5-2-1-3-6-19)10-8-22(21)28-24(29-25)20-7-4-9-27-15-20/h1-7,9,15H,8,10-14,16-18H2,(H2,26,33)
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| InChIKey |
MEHKDCINYAQEKC-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