General Information of the Compound
| Compound ID |
CP0514008
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| Compound Name |
(S)-2-(4-(4-fluorophenylsulfonyl)piperazin-1-yl)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C31H32FN3O6S
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| Molecular Weight |
593.677
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H](N2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)C(O)=O)cc1)-c1ccccc1
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| InChI |
InChI=1S/C31H32FN3O6S/c1-22-28(33-30(41-22)24-5-3-2-4-6-24)15-20-40-26-11-7-23(8-12-26)21-29(31(36)37)34-16-18-35(19-17-34)42(38,39)27-13-9-25(32)10-14-27/h2-14,29H,15-21H2,1H3,(H,36,37)/t29-/m0/s1
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| InChIKey |
NFIYYSBUCHTFNZ-LJAQVGFWSA-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