General Information of the Compound
| Compound ID |
CP0041197
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| Compound Name |
(S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid
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| Synonyms |
Darusentan
Endothelin antagonist, BASF
HMR-4005
LU-127043
LU-135252
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| Structure |
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| Formula |
C22H22N2O6
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| Molecular Weight |
410.426
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| Canonical SMILES |
COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
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| InChI |
InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
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| InChIKey |
FEJVSJIALLTFRP-LJQANCHMSA-N
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| CAS |
171714-84-4
177036-80-5
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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