General Information of the Compound
| Compound ID |
CP0432859
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| Compound Name |
7-Chloro-4-[2-(1-methyl-5-oxo-pyrrolidin-2-yl)-ethoxy]-2-oxo-3-((R)-3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid [1,2,5]thiadiazol-3-ylamide
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| Structure |
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| Formula |
C28H28ClN5O4S
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| Molecular Weight |
566.083
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| Canonical SMILES |
CN1[C@@H](CCOc2c(-c3cc(C)c(C)c(C)c3)c(=O)[nH]c3cc(Cl)c(cc23)C(=O)Nc2cnsn2)CCC1=O
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| InChI |
InChI=1S/C28H28ClN5O4S/c1-14-9-17(10-15(2)16(14)3)25-26(38-8-7-18-5-6-24(35)34(18)4)20-11-19(21(29)12-22(20)31-28(25)37)27(36)32-23-13-30-39-33-23/h9-13,18H,5-8H2,1-4H3,(H,31,37)(H,32,33,36)/t18-/m1/s1
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| InChIKey |
HCSTZSWLTJALRX-GOSISDBHSA-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