General Information of the Compound
| Compound ID |
CP0463326
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| Compound Name |
CHEMBL2368258
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| Formula |
C18H22N4O2
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| Molecular Weight |
326.4
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| Canonical SMILES |
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CN3C(=O)CNC3=O)cc12
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| InChI |
InChI=1S/C18H22N4O2/c1-21(2)13-6-12(7-13)15-8-19-16-4-3-11(5-14(15)16)10-22-17(23)9-20-18(22)24/h3-5,8,12-13,19H,6-7,9-10H2,1-2H3,(H,20,24)/t12-,13-
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| InChIKey |
WXUMLPDMWNWBQA-JOCQHMNTSA-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