General Information of the Compound
| Compound ID |
CP0497065
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| Compound Name |
CHEMBL360081
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| Formula |
C25H31N5O3
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| Molecular Weight |
449.555
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N(C)C)c2ccccc2n1
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| InChI |
InChI=1S/C25H31N5O3/c1-30(2)23-21-7-5-6-8-22(21)28-25(29-23)27-18-11-9-17(10-12-18)26-24(31)16-13-19(32-3)15-20(14-16)33-4/h5-8,13-15,17-18H,9-12H2,1-4H3,(H,26,31)(H,27,28,29)/t17-,18+
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| InChIKey |
FTXAKSJEBVGKHR-HDICACEKSA-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