General Information of the Compound
| Compound ID |
CP0558347
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| Compound Name |
2-[4-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]acetic acid
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| Structure |
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| Formula |
C18H23ClN4O3S
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| Molecular Weight |
410.927
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(NC2CCN(CC(O)=O)CC2)s1
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| InChI |
InChI=1S/C18H23ClN4O3S/c1-11(2)26-15-4-3-12(9-14(15)19)17-21-22-18(27-17)20-13-5-7-23(8-6-13)10-16(24)25/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,22)(H,24,25)
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| InChIKey |
NGCULPPNYGULFG-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