General Information of the Compound
| Compound ID |
CP0043494
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| Compound Name |
ADP
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| Synonyms |
5'-Adenylphosphoric acid
5'-Adp
58-64-0
61D2G4IYVH
ADP
ADP (nucleotide)
Adenosindiphosphorsaeure
Adenosine 5'-(trihydrogen diphosphate)
Adenosine 5'-diphosphoric acid
Adenosine 5'-pyrophosphoric acid
Adenosine diphosphate
Adenosine diphosphoric acid
Adenosine-5'-diphosphat
Ado-5'-P-P
BRN 0067722
CHEBI:16761
CHEMBL14830
EINECS 200-392-5
H3adp
UNII-61D2G4IYVH
adenosine 5'-pyrophosphate
adenosine diphosphate
adenosine pyrophosphate
adenosine-diphosphate
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| Structure |
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| Formula |
C10H15N5O10P2
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| Molecular Weight |
427.203
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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| InChIKey |
XTWYTFMLZFPYCI-KQYNXXCUSA-N
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| CAS |
84412-16-8
20398-34-9
18389-49-6
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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: PT04712, 5'-nucleotidase
Protein ID: PT01164, Mitogen-activated protein kinase kinase kinase 7
Protein ID: PT01877, P2Y purinoceptor 1
Protein ID: PT02919, P2Y purinoceptor 1
Protein ID: PT03558, P2Y purinoceptor 11
Protein ID: PT02796, P2Y purinoceptor 6
Clinical Information about the Compound