General Information of the Compound
| Compound ID |
CP0424979
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| Compound Name |
CHEMBL181383
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| Formula |
C23H26N6O3
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| Molecular Weight |
434.5
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
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| InChI |
InChI=1S/C23H26N6O3/c1-28(2)21-19-8-3-4-9-20(19)26-23(27-21)25-17-12-10-16(11-13-17)24-22(30)15-6-5-7-18(14-15)29(31)32/h3-9,14,16-17H,10-13H2,1-2H3,(H,24,30)(H,25,26,27)/t16-,17+
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| InChIKey |
CYJMDICCNHFYPK-CALCHBBNSA-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: PT01027, Melanin-concentrating hormone receptor 1