General Information of the Compound
| Compound ID |
CP0919630
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| Compound Name |
Methyl 2-(4-(3-(piperidin-1-yl)propoxy)phenyl)thiazolidine-4-carboxylate hydrogenoxalate
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| Structure |
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| Formula |
C21H30N2O7S
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| Molecular Weight |
454.545
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| Canonical SMILES |
COC(=O)C1CSC(c2ccc(OCCCN3CCCCC3)cc2)N1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C19H28N2O3S.C2H2O4/c1-23-19(22)17-14-25-18(20-17)15-6-8-16(9-7-15)24-13-5-12-21-10-3-2-4-11-21;3-1(4)2(5)6/h6-9,17-18,20H,2-5,10-14H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
SGWOIEXEPJTSMZ-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