General Information of the Compound
| Compound ID |
CP0433534
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| Compound Name |
7-Chloro-2-oxo-4-(2-piperidin-2-yl-ethoxy)-3-((S)-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 |
C28H30ClN5O3S
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| Molecular Weight |
552.1
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| Canonical SMILES |
Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
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| InChI |
InChI=1S/C28H30ClN5O3S/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-7-19-6-4-5-8-30-19)21-12-20(22(29)13-23(21)32-28(25)36)27(35)33-24-14-31-38-34-24/h10-14,19,30H,4-9H2,1-3H3,(H,32,36)(H,33,34,35)/t19-/m0/s1
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| InChIKey |
BEDCPQWYYPUQGP-IBGZPJMESA-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