General Information of the Compound
| Compound ID |
CP0555744
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C30H39N7O3
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| Molecular Weight |
545.688
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(c3)C3CCN(C)CC3)c(=O)n2c1
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| InChI |
InChI=1S/C30H39N7O3/c1-21(2)31-10-13-35(25-14-26(39-4)16-27(15-25)40-5)24-6-7-29-32-18-28(30(38)36(29)20-24)22-17-33-37(19-22)23-8-11-34(3)12-9-23/h6-7,14-21,23,31H,8-13H2,1-5H3
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| InChIKey |
OCYXIJKRMKMQSO-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