General Information of the Compound
| Compound ID |
CP0512819
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| Compound Name |
4-chloro-N-[2-[3-[[3-(cyclopropylmethyl)-4-(2-methylpropoxy)-2-oxocyclopent-3-en-1-yl]methyl]phenyl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C28H34ClNO4S
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| Molecular Weight |
516.103
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| Canonical SMILES |
CC(C)COC1=C(CC2CC2)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1
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| InChI |
InChI=1S/C28H34ClNO4S/c1-19(2)18-34-27-17-23(28(31)26(27)16-21-6-7-21)15-22-5-3-4-20(14-22)12-13-30-35(32,33)25-10-8-24(29)9-11-25/h3-5,8-11,14,19,21,23,30H,6-7,12-13,15-18H2,1-2H3
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| InChIKey |
VPEABCYFRCWDMX-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
Protein ID: PT04623, Thromboxane A2 receptor
Protein ID: PT01819, Thromboxane A2 receptor