General Information of the Compound
| Compound ID |
CP0569838
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| Compound Name |
2-[2-[5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C27H21Cl2FN4O3S
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| Molecular Weight |
571.461
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1
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| InChI |
InChI=1S/C27H21Cl2FN4O3S/c28-16-11-31-12-17(29)21(16)23-20(24(37-33-23)13-1-2-13)15-9-27(10-15)3-5-34(6-4-27)26-32-22-18(30)7-14(25(35)36)8-19(22)38-26/h7-9,11-13H,1-6,10H2,(H,35,36)
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| InChIKey |
AWMVITFYNBJOTG-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