General Information of the Compound
| Compound ID |
CP0480060
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| Compound Name |
4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]-1-phenylbutan-1-one
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| Structure |
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| Formula |
C24H29N3O
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| Molecular Weight |
375.516
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| Canonical SMILES |
CN1CCN2[C@H]3CCN(CCCC(=O)c4ccccc4)C[C@H]3c3cccc1c23
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| InChI |
InChI=1S/C24H29N3O/c1-25-15-16-27-21-12-14-26(13-6-11-23(28)18-7-3-2-4-8-18)17-20(21)19-9-5-10-22(25)24(19)27/h2-5,7-10,20-21H,6,11-17H2,1H3/t20-,21-/m0/s1
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| InChIKey |
KIOLUKGHLOUGFU-SFTDATJTSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00957, D(2) dopamine receptor