General Information of the Compound
| Compound ID |
CP0517062
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-(1-piperidin-4-ylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C29H37N7O3
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| Molecular Weight |
531.661
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(c3)C3CCNCC3)c(=O)n2c1
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| InChI |
InChI=1S/C29H37N7O3/c1-20(2)31-11-12-34(24-13-25(38-3)15-26(14-24)39-4)23-5-6-28-32-17-27(29(37)35(28)19-23)21-16-33-36(18-21)22-7-9-30-10-8-22/h5-6,13-20,22,30-31H,7-12H2,1-4H3
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| InChIKey |
VSNJNEZKWWXNLY-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