General Information of the Compound
| Compound ID |
CP0542319
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C27H34N6O4
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| Molecular Weight |
506.607
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| Canonical SMILES |
COCCn1cc(cn1)-c1cnc2ccc(cn2c1=O)N(CCNC(C)C)c1cc(OC)cc(OC)c1
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| InChI |
InChI=1S/C27H34N6O4/c1-19(2)28-8-9-32(22-12-23(36-4)14-24(13-22)37-5)21-6-7-26-29-16-25(27(34)33(26)18-21)20-15-30-31(17-20)10-11-35-3/h6-7,12-19,28H,8-11H2,1-5H3
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| InChIKey |
PDVMHXKCVYBFOF-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