General Information of the Compound
| Compound ID |
CP0555690
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| Compound Name |
1-[1-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H29ClN4O3S
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| Molecular Weight |
465.019
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)N1CCC(CC1)N1CCCC(C1)C(O)=O
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| InChI |
InChI=1S/C22H29ClN4O3S/c1-14(2)30-19-6-5-15(12-18(19)23)20-24-25-22(31-20)26-10-7-17(8-11-26)27-9-3-4-16(13-27)21(28)29/h5-6,12,14,16-17H,3-4,7-11,13H2,1-2H3,(H,28,29)
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| InChIKey |
UGWHSEANSHAVLP-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