General Information of the Compound
| Compound ID |
CP0067480
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| Compound Name |
(3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
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| Synonyms |
150131-78-5
154652-83-2
3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, (3S,4aR,6R,8aR)-
3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, (3S-(3alpha,4aalpha,6beta,8aalpha))-
6-(2-(1H-Tetrazol-5-yl)ethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CHEMBL14935
Decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-3-isoquinolinecarboxylic acid
GA36S2O9C2
LY 293558
LY-293558
LY293558
Ted-isoquinoline-3-cooh
Tezampanel
Tezampanel [INN]
UNII-GA36S2O9C2
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| Structure |
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| Formula |
C13H21N5O2
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| Molecular Weight |
279.344
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| Canonical SMILES |
OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
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| InChI |
InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
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| InChIKey |
ZXFRFPSZAKNPQQ-YTWAJWBKSA-N
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| CAS |
154652-83-2
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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