General Information of the Compound
| Compound ID |
CP0454850
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| Compound Name |
CHEMBL158638
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| Formula |
C15H19N3O
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| Molecular Weight |
257.337
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| Canonical SMILES |
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(cc12)C(N)=O
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| InChI |
InChI=1S/C15H19N3O/c1-18(2)11-5-10(6-11)13-8-17-14-4-3-9(15(16)19)7-12(13)14/h3-4,7-8,10-11,17H,5-6H2,1-2H3,(H2,16,19)/t10-,11-
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| InChIKey |
WHLKSQOCYRUNEX-XYPYZODXSA-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