General Information of the Compound
| Compound ID |
CP0286134
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| Compound Name |
(E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-phenethyloxy-pyridin-2-yl]-acrylic acid
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| Synonyms |
LTB4 antagonist, SB
SB-209247
Ticolubant
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| Structure |
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| Formula |
C23H19Cl2NO3S
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| Molecular Weight |
460.382
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| Canonical SMILES |
OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1
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| InChI |
InChI=1S/C23H19Cl2NO3S/c24-18-7-4-8-19(25)23(18)30-15-17-9-11-21(20(26-17)10-12-22(27)28)29-14-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,27,28)/b12-10+
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| InChIKey |
ZJLFOOWTDISDIO-ZRDIBKRKSA-N
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| CAS |
154413-61-3
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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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Clinical Information about the Compound