General Information of the Compound
| Compound ID |
CP0517060
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-(oxan-4-yloxy)pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C26H34N4O5
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| Molecular Weight |
482.581
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(OC3CCOCC3)c(=O)n2c1
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| InChI |
InChI=1S/C26H34N4O5/c1-18(2)27-9-10-29(20-13-22(32-3)15-23(14-20)33-4)19-5-6-25-28-16-24(26(31)30(25)17-19)35-21-7-11-34-12-8-21/h5-6,13-18,21,27H,7-12H2,1-4H3
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| InChIKey |
MYEBIWVRKOVGER-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