General Information of the Compound
| Compound ID |
CP0095188
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| Compound Name |
(2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
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| Synonyms |
(2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(3-(o-Chlorophenyl)-5-methyl-4-isoxazolyl)penicillin
6-(((3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
6-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid
BRL 1621
BRL-1621 (sodium monohydrate)
Chloroxacillin
Clossacillina
Clossacillina [DCIT]
Cloxacilina
Cloxacilina [INN-Spanish]
Cloxacillin
Cloxacillin (INN)
Cloxacillin [INN:BAN]
Cloxacillin sodium
Cloxacilline
Cloxacilline [INN-French]
Cloxacillinum
Cloxacillinum [INN-Latin]
Cloxapen (TN)
Cloxapen (sodium monohydrate)
MCIPC
Methocillin S
Methylchlorphenylisoxazoryl-penicillin
Novo-Cloxin
Nu-Cloxi
Orbenin
Orbenin (TN)
P-25 (sodium monohydrate)
Syntarpen
Tegopen
Tegopen (sodium monohydrate)
[3-(O-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]PENICILLIN
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| Structure |
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| Formula |
C19H18ClN3O5S
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| Molecular Weight |
435.889
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| Canonical SMILES |
Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl
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| InChI |
InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
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| InChIKey |
LQOLIRLGBULYKD-JKIFEVAISA-N
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| CAS |
8056-79-9
61-72-3
50763-55-8
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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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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
Clinical Information about the Compound