General Information of the Compound
| Compound ID |
CP0549253
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| Compound Name |
3-[1-(1-acetylazetidin-3-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 |
C29H35N7O4
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| Molecular Weight |
545.644
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(c3)C3CN(C3)C(C)=O)c(=O)n2c1
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| InChI |
InChI=1S/C29H35N7O4/c1-19(2)30-8-9-34(23-10-25(39-4)12-26(11-23)40-5)22-6-7-28-31-14-27(29(38)35(28)18-22)21-13-32-36(15-21)24-16-33(17-24)20(3)37/h6-7,10-15,18-19,24,30H,8-9,16-17H2,1-5H3
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| InChIKey |
GEBCKYDDXMJGTG-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