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Name | CHEMBL2373510 |
---|---|
Molecular formula | C60H89N17O11 |
IUPAC name | (2S)-N-[(2S)-6-amino-1-[(2R)-2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanediamide |
Molecular weight | 1224.48 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 14 |
XlogP | -0.7 |
Synonyms | N/A |
Inchi Key | CHODXWJGDHIOHT-JQJPBZKSSA-N |
Inchi ID | InChI=1S/C60H89N17O11/c1-4-88-40-26-24-39(25-27-40)33-44(70-49(79)34-38-18-9-6-10-19-38)53(82)74-45(32-37-16-7-5-8-17-37)55(84)76-50(36(2)3)57(86)75-46(35-48(62)78)54(83)73-43(20-11-12-28-61)58(87)77-31-15-23-47(77)56(85)72-42(22-14-30-69-60(66)67)52(81)71-41(51(63)80)21-13-29-68-59(64)65/h5-10,16-19,24-27,36,41-47,50H,4,11-15,20-23,28-35,61H2,1-3H3,(H2,62,78)(H2,63,80)(H,70,79)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,75,86)(H,76,84)(H4,64,65,68)(H4,66,67,69)/t41-,42-,43-,44+,45-,46-,47+,50-/m0/s1 |
PubChem CID | 44335003 |
ChEMBL | CHEMBL2373510 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
42175 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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