General Information of the Compound
| Compound ID |
CP0482741
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| Compound Name |
ZD-4054
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| Synonyms |
N-(3-methoxy-5-methyl-pyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide
Trans,trans-2(4-methoxyphenyl)-4-(1-3-benzodiazol-5-yl)-1-(dibutylaminocarbonylmethyl)pyrrolidine-3-carboxylic acid
ZD-4054
ZD4054
ZD4054, Zibotentan
Zibotentan
Zibotentan (JAN/INN)
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| Structure |
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| Formula |
C19H16N6O4S
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| Molecular Weight |
424.442
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| Canonical SMILES |
COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(cc1)-c1nnco1
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| InChI |
InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
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| InChIKey |
FJHHZXWJVIEFGJ-UHFFFAOYSA-N
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| CAS |
186497-07-4
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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