General Information of the Compound
| Compound ID |
CP0549038
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| Compound Name |
6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-1-methylindole-3-carboxylic acid
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| Structure |
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| Formula |
C30H27Cl2N3O3
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| Molecular Weight |
548.47
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| Canonical SMILES |
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1
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| InChI |
InChI=1S/C30H27Cl2N3O3/c1-34-16-21(29(36)37)20-8-7-19(13-24(20)34)35-11-9-30(10-12-35)14-18(15-30)25-27(33-38-28(25)17-5-6-17)26-22(31)3-2-4-23(26)32/h2-4,7-8,13-14,16-17H,5-6,9-12,15H2,1H3,(H,36,37)
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| InChIKey |
SUOMEPOKHNAXGW-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