General Information of the Compound
| Compound ID |
CP0398729
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| Compound Name |
1-(4-fluorophenyl)-4-[(10R,15S)-4-propan-2-yl-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 |
CC(C)N1CCN2[C@H]3CCN(CCCC(=O)c4ccc(F)cc4)C[C@H]3c3cccc1c23
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| InChI |
InChI=1S/C26H32FN3O/c1-18(2)29-15-16-30-23-12-14-28(17-22(23)21-5-3-6-24(29)26(21)30)13-4-7-25(31)19-8-10-20(27)11-9-19/h3,5-6,8-11,18,22-23H,4,7,12-17H2,1-2H3/t22-,23-/m0/s1
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| InChIKey |
AWTJSBNHYBHAKG-GOTSBHOMSA-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