General Information of the Compound
| Compound ID |
CP0463655
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| Compound Name |
CHEMBL2368256
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| Formula |
C17H21N3O2
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| Molecular Weight |
299.374
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| Canonical SMILES |
CN[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12
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| InChI |
InChI=1S/C17H21N3O2/c1-18-12-6-11(7-12)15-8-19-16-3-2-10(5-14(15)16)4-13-9-22-17(21)20-13/h2-3,5,8,11-13,18-19H,4,6-7,9H2,1H3,(H,20,21)/t11-,12-,13?
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| InChIKey |
VHUSWFDFXAXWRN-TWEVBFGDSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D