General Information of the Compound
| Compound ID |
CP0487467
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| Compound Name |
7-[N-[2-[(4-hydroxycyclohexyl)amino]ethyl]-3,5-dimethoxyanilino]-3-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C28H34N6O4
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| Molecular Weight |
518.618
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC1CCC(O)CC1)c1ccc2ncc(-c3cnn(C)c3)c(=O)n2c1
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| InChI |
InChI=1S/C28H34N6O4/c1-32-17-19(15-31-32)26-16-30-27-9-6-21(18-34(27)28(26)36)33(11-10-29-20-4-7-23(35)8-5-20)22-12-24(37-2)14-25(13-22)38-3/h6,9,12-18,20,23,29,35H,4-5,7-8,10-11H2,1-3H3
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| InChIKey |
ULQBNUVXUJCFMM-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