General Information of the Compound
| Compound ID |
CP0363603
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| Compound Name |
6-[2-[5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]quinoline-2-carboxylic acid
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| Structure |
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| Formula |
C30H24Cl2FN3O3
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| Molecular Weight |
564.444
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| Canonical SMILES |
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cc(F)cc2Cl)C2CC2)CC1
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| InChI |
InChI=1S/C30H24Cl2FN3O3/c31-21-12-19(33)13-22(32)26(21)27-25(28(39-35-27)16-1-2-16)18-14-30(15-18)7-9-36(10-8-30)20-4-6-23-17(11-20)3-5-24(34-23)29(37)38/h3-6,11-14,16H,1-2,7-10,15H2,(H,37,38)
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| InChIKey |
DNHONPYJPUPDJP-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