General Information of the Compound
| Compound ID |
CP0553337
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| Compound Name |
N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-7-formyl-6-[(3,3,4-trimethyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
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| Formula |
C27H33N7O5
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| Molecular Weight |
535.605
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| Canonical SMILES |
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)C(C)(C)C4=O)c(C=O)nc23)ncc1C#N
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| InChI |
InChI=1S/C27H33N7O5/c1-27(2)25(36)33(9-8-32(27)3)16-19-12-18-6-5-7-34(24(18)30-21(19)17-35)26(37)31-23-13-22(39-11-10-38-4)20(14-28)15-29-23/h12-13,15,17H,5-11,16H2,1-4H3,(H,29,31,37)
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| InChIKey |
PAQYVTXLPVZUDJ-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