General Information of the Compound
| Compound ID |
CP0391243
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| Compound Name |
7-Chloro-2-oxo-4-[2-(tetrahydro-furan-2-yl)-ethoxy]-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide
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| Structure |
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| Formula |
C29H29ClN4O4
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| Molecular Weight |
533.028
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| Canonical SMILES |
Cc1cc(cc(C)c1C)-c1c(OCCC2CCCO2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
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| InChI |
InChI=1S/C29H29ClN4O4/c1-16-11-19(12-17(2)18(16)3)26-27(38-10-7-20-5-4-9-37-20)22-13-21(23(30)14-24(22)33-29(26)36)28(35)34-25-6-8-31-15-32-25/h6,8,11-15,20H,4-5,7,9-10H2,1-3H3,(H,33,36)(H,31,32,34,35)
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| InChIKey |
YWHAKGCRCVPYKM-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