General Information of the Compound
| Compound ID |
CP0451106
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| Compound Name |
7-[N-[2-(cyclopropylamino)ethyl]-3,5-dimethoxyanilino]-3-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C25H28N6O3
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| Molecular Weight |
460.538
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC1CC1)c1ccc2ncc(-c3cnn(C)c3)c(=O)n2c1
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| InChI |
InChI=1S/C25H28N6O3/c1-29-15-17(13-28-29)23-14-27-24-7-6-19(16-31(24)25(23)32)30(9-8-26-18-4-5-18)20-10-21(33-2)12-22(11-20)34-3/h6-7,10-16,18,26H,4-5,8-9H2,1-3H3
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| InChIKey |
HNHYKMOSINMUHV-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