General Information of the Compound
| Compound ID |
CP0562112
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| Compound Name |
tert-butyl 4-[3-[[3-[(3,5-dimethoxyphenyl)methyl-methylcarbamoyl]-1-methyl-2-oxo-1,8-naphthyridin-4-yl]oxy]propyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C33H44N4O7
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| Molecular Weight |
608.736
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| Canonical SMILES |
COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3cccnc3n(C)c2=O)cc(OC)c1
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| InChI |
InChI=1S/C33H44N4O7/c1-33(2,3)44-32(40)37-15-12-22(13-16-37)10-9-17-43-28-26-11-8-14-34-29(26)36(5)31(39)27(28)30(38)35(4)21-23-18-24(41-6)20-25(19-23)42-7/h8,11,14,18-20,22H,9-10,12-13,15-17,21H2,1-7H3
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| InChIKey |
DSGMMOPUXYSDKE-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