General Information of the Compound
| Compound ID |
CP0552680
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| Compound Name |
Avosentan
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| Synonyms |
5-methylpyridine-2-sulfonic acid (6-methoxy-5-(2-methoxyphenoxy)-2-(pyridin-4-yl)pyrimidin-4-yl)amide
Avosentan
N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-5-methyl-pyridine-2-sulfonamide
Ro 67-0565
SPP 301
SPP301
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| Structure |
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| Formula |
C23H21N5O5S
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| Molecular Weight |
479.518
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OC)-c1ccncc1
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| InChI |
InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)
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| InChIKey |
YBWLTKFZAOSWSM-UHFFFAOYSA-N
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| CAS |
290815-26-8
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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