General Information of the Compound
| Compound ID |
CP0398727
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| Compound Name |
1-(4-fluorophenyl)-4-[(2R,8R)-14-methyl-1,5,14-triazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-5-yl]butan-1-one
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| Structure |
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| Formula |
C25H30FN3O
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| Molecular Weight |
407.533
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| Canonical SMILES |
CN1CCN2[C@@H]3CCN(CCCC(=O)c4ccc(F)cc4)CC[C@@H]3c3cccc1c23
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| InChI |
InChI=1S/C25H30FN3O/c1-27-16-17-29-22-12-15-28(13-3-6-24(30)18-7-9-19(26)10-8-18)14-11-20(22)21-4-2-5-23(27)25(21)29/h2,4-5,7-10,20,22H,3,6,11-17H2,1H3/t20-,22-/m1/s1
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| InChIKey |
ZVZSSCYKMISSIN-IFMALSPDSA-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