General Information of the Compound
| Compound ID |
CP0528300
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| Compound Name |
sodium;(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazol-3-yl]-6-oxohexanoate
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| Structure |
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| Formula |
C25H28ClN4NaO4S
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| Molecular Weight |
539.033
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| Canonical SMILES |
[Na+].CC(C)Cc1nnc(s1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
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| InChI |
InChI=1S/C25H29ClN4O4S.Na/c1-13(2)10-20-28-29-25(35-20)24-22(15-5-6-15)23(30-34-24)16(7-9-21(32)33)12-19(31)27-18-8-4-14(3)11-17(18)26;/h4,8,11,13,15-16H,5-7,9-10,12H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t16-;/m0./s1
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| InChIKey |
XDBJWDBPBPVYOX-NTISSMGPSA-M
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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