General Information of the Compound
| Compound ID |
CP0455638
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| Compound Name |
7-Chloro-2-oxo-4-(2-pyrrolidin-2-yl-ethoxy)-3-((S)-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 |
C29H30ClN5O3
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| Molecular Weight |
532.044
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| Canonical SMILES |
Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
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| InChI |
InChI=1S/C29H30ClN5O3/c1-16-11-19(12-17(2)18(16)3)26-27(38-10-7-20-5-4-8-32-20)22-13-21(23(30)14-24(22)34-29(26)37)28(36)35-25-6-9-31-15-33-25/h6,9,11-15,20,32H,4-5,7-8,10H2,1-3H3,(H,34,37)(H,31,33,35,36)/t20-/m0/s1
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| InChIKey |
HOLPQAAWTOLBOD-FQEVSTJZSA-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