General Information of the Compound
| Compound ID |
CP0410535
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| Compound Name |
AGN-192172
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| Synonyms |
AGN-192172
BDBM50052881
CHEMBL49284
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| Structure |
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| Formula |
C12H17N5
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| Molecular Weight |
231.303
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| Canonical SMILES |
Cc1c(ccc2NCCNc12)N=C1NCCN1
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| InChI |
InChI=1S/C12H17N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-3,13-14H,4-7H2,1H3,(H2,15,16,17)
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| InChIKey |
PGOVKWAJCVAZNG-UHFFFAOYSA-N
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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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT03109, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Clinical Information about the Compound