General Information of the Compound
| Compound ID |
CP0416214
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| Compound Name |
1-(4-fluorophenyl)-4-[(10R,15S)-2,2,4-trimethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
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| Structure |
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| Formula |
C26H32FN3O
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| Molecular Weight |
421.56
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| Canonical SMILES |
CN1CC(C)(C)N2[C@H]3CCN(CCCC(=O)c4ccc(F)cc4)C[C@H]3c3cccc1c23
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| InChI |
InChI=1S/C26H32FN3O/c1-26(2)17-28(3)23-7-4-6-20-21-16-29(15-13-22(21)30(26)25(20)23)14-5-8-24(31)18-9-11-19(27)12-10-18/h4,6-7,9-12,21-22H,5,8,13-17H2,1-3H3/t21-,22-/m0/s1
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| InChIKey |
BXWGGUPCFAJWLY-VXKWHMMOSA-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