General Information of the Compound
| Compound ID |
CP0565354
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C28H35N7O5S
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| Molecular Weight |
581.699
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(c3)C3CN(C3)S(C)(=O)=O)c(=O)n2c1
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| InChI |
InChI=1S/C28H35N7O5S/c1-19(2)29-8-9-33(22-10-24(39-3)12-25(11-22)40-4)21-6-7-27-30-14-26(28(36)34(27)18-21)20-13-31-35(15-20)23-16-32(17-23)41(5,37)38/h6-7,10-15,18-19,23,29H,8-9,16-17H2,1-5H3
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| InChIKey |
PIIFQWLREQTQAW-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