General Information of the Compound
| Compound ID |
CP0458627
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| Compound Name |
4-chloro-N-[2-[3-[[3-(cyclopropylmethyl)-4-hydroxy-2-oxocyclopentyl]methyl]phenyl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C24H28ClNO4S
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| Molecular Weight |
462.011
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| Canonical SMILES |
OC1CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C(=O)C1CC1CC1
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| InChI |
InChI=1S/C24H28ClNO4S/c25-20-6-8-21(9-7-20)31(29,30)26-11-10-16-2-1-3-18(12-16)13-19-15-23(27)22(24(19)28)14-17-4-5-17/h1-3,6-9,12,17,19,22-23,26-27H,4-5,10-11,13-15H2
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| InChIKey |
KLXDWDCODDZSIF-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