General Information of the Compound
| Compound ID |
CP0048953
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| Compound Name |
(R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
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| Synonyms |
(+)-(3R)-3-(p-Fluorobenzenesulfonamido)-1,2,3,4-tetrahydrocarbazole-9-propionic acid
116649-85-5
3-(4-Fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole propanoic acid
3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
BAY u3405
BAY-u 3405
Bay u 3405
Bay u 3406
Bay u-3405
Bay-u-3405
Baynas
Baynas (TN)
C21H21FN2O4S
CHEMBL361812
DSSTox_RID_81819
EN-137774
NCGC00167519-01
P1ALI72U6C
Ramatroban
Ramatroban (JAN/INN)
UNII-P1ALI72U6C
[3H]ramatroban
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| Structure |
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| Formula |
C21H21FN2O4S
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| Molecular Weight |
416.474
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| Canonical SMILES |
OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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| InChIKey |
LDXDSHIEDAPSSA-OAHLLOKOSA-N
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| CAS |
116649-85-5
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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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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: PT02279, Prostacyclin receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT01819, Thromboxane A2 receptor
Clinical Information about the Compound