General Information of the Compound
| Compound ID |
CP0549249
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| Compound Name |
tert-butyl 4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
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| Formula |
C31H41N5O5
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| Molecular Weight |
563.699
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(C3=CCN(CC3)C(=O)OC(C)(C)C)c(=O)n2c1
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| InChI |
InChI=1S/C31H41N5O5/c1-21(2)32-12-15-35(24-16-25(39-6)18-26(17-24)40-7)23-8-9-28-33-19-27(29(37)36(28)20-23)22-10-13-34(14-11-22)30(38)41-31(3,4)5/h8-10,16-21,32H,11-15H2,1-7H3
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| InChIKey |
FSOORFUPFALQAL-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