General Information of the Compound
| Compound ID |
CP0570880
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| Compound Name |
3-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C31H39N7O4
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| Molecular Weight |
573.698
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(c3)C3CCN(CC3)C(C)=O)c(=O)n2c1
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| InChI |
InChI=1S/C31H39N7O4/c1-21(2)32-10-13-36(26-14-27(41-4)16-28(15-26)42-5)25-6-7-30-33-18-29(31(40)37(30)20-25)23-17-34-38(19-23)24-8-11-35(12-9-24)22(3)39/h6-7,14-21,24,32H,8-13H2,1-5H3
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| InChIKey |
LKLGYFLWZSUAND-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