General Information of the Compound
| Compound ID |
CP0579192
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| Compound Name |
2-[[(1R)-1-[4-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]ethyl]-(cyclopropylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C25H23ClN4O4S
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| Molecular Weight |
511.003
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| Canonical SMILES |
C[C@@H](N(CC1CC1)c1nc(C(O)=O)c(C)s1)c1ccc(cc1)-c1cc(Cl)ccc1-c1nc(=O)o[nH]1
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| InChI |
InChI=1S/C25H23ClN4O4S/c1-13(30(12-15-3-4-15)24-27-21(23(31)32)14(2)35-24)16-5-7-17(8-6-16)20-11-18(26)9-10-19(20)22-28-25(33)34-29-22/h5-11,13,15H,3-4,12H2,1-2H3,(H,31,32)(H,28,29,33)/t13-/m1/s1
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| InChIKey |
WENFPCRYBSINAJ-CYBMUJFWSA-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