General Information of the Compound
| Compound ID |
CP0192572
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| Compound Name |
AVP
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| Synonyms |
ADH (hormone)
American Pharmaceutical Brand of Vasopressin
American Regent Brand of Vasopressin
Antidiuretic Hormones
Antidiuretic hormone
Beta Hypophamine
Beta-Hypophamine
Inyectable de vasopresina
Inyectable de vasopresina [INN-Spanish]
Leiormone
Monarch Brand of Vasopressin
Parke-Davis Brand of Vasopressin (USP)
Pitressin
Pitressin (TN)
Pituitrin
Solute injectable de vasopressine
Solute injectable de vasopressine [INN-French]
Tonephin
Vasopressin
Vasopressin (JP15/USP)
Vasopressin (USP)
Vasopressin Monarch Brand
Vasopressin injection
Vasopressina
Vasopressina [DCIT]
Vasopressine
Vasopressini injectio
Vasopressini injectio [INN-Latin]
Vasopressins
Vasopressinum
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| Structure |
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| Formula |
C46H65N15O12S2
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| Molecular Weight |
1084.253
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| Canonical SMILES |
N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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| InChIKey |
KBZOIRJILGZLEJ-LGYYRGKSSA-N
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| CAS |
113-79-1
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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: PT01658, Oxytocin receptor
Cell-based Assay
Protein ID: PT01510, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Cell-based Assay
Protein ID: PT01840, Vasopressin V1b receptor
Protein ID: PT03188, Vasopressin V1b receptor
Protein ID: PT01648, Vasopressin V2 receptor
Cell-based Assay
Clinical Information about the Compound