General Information of the Compound
| Compound ID |
CP0034782
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| Compound Name |
(+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)
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| Synonyms |
6-(2-Phenylacetamido)penicillanic acid
61-33-6
Bencilpenicilina
Benzopenicillin
Benzyl penicillin
Benzyl-6-aminopenicillinic acid
Benzylpenicillin
Benzylpenicillin G
Benzylpenicilline
Benzylpenicillinic acid
Benzylpenicillinum
Cilloral
Cilopen
Compocillin G
Cosmopen
Dropcillin
Free benzylpenicillin
Free penicillin G
Free penicillin II
Galofak
Gelacillin
Liquacillin
Pencillin G
Pfizerpen
Pharmacillin
Phenylacetamidopenicillanic acid
Pradupen
Specilline G
Ursopen
penicillin g
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| Structure |
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| Formula |
C16H18N2O4S
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| Molecular Weight |
334.397
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| Canonical SMILES |
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O
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| InChI |
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
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| InChIKey |
JGSARLDLIJGVTE-MBNYWOFBSA-N
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| CAS |
61-33-6
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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: PT06258, Organic anion transporter 3
Protein ID: PT02209, Organic anion transporter 3
Protein ID: PT05092, Organic anion transporter 3
Clinical Information about the Compound
Drug 1 ( Benzylpenicillin )
| Drug Name | Benzylpenicillin | ||
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