General Information of the Compound
| Compound ID |
CP0480696
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| Compound Name |
CHEMBL360159
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| Formula |
C23H24F3N5O
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| Molecular Weight |
443.473
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2F)nc2ccccc12
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| InChI |
InChI=1S/C23H24F3N5O/c1-31(2)21-15-5-3-4-6-18(15)29-23(30-21)28-14-9-7-13(8-10-14)27-22(32)16-11-12-17(24)20(26)19(16)25/h3-6,11-14H,7-10H2,1-2H3,(H,27,32)(H,28,29,30)/t13-,14+
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| InChIKey |
JJZSKQSMTGTKID-OKILXGFUSA-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