General Information of the Compound
| Compound ID |
CP0579558
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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]-N-ethylsulfonyl-5-methyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C27H28ClN5O5S2
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| Molecular Weight |
602.138
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| Canonical SMILES |
CCS(=O)(=O)NC(=O)c1nc(sc1C)N(CC1CC1)[C@H](C)c1ccc(cc1)-c1cc(Cl)ccc1-c1nc(=O)o[nH]1
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| InChI |
InChI=1S/C27H28ClN5O5S2/c1-4-40(36,37)32-25(34)23-16(3)39-26(29-23)33(14-17-5-6-17)15(2)18-7-9-19(10-8-18)22-13-20(28)11-12-21(22)24-30-27(35)38-31-24/h7-13,15,17H,4-6,14H2,1-3H3,(H,32,34)(H,30,31,35)/t15-/m1/s1
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| InChIKey |
MPSZZEIWORIIPB-OAHLLOKOSA-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