General Information of the Compound
| Compound ID |
CP0411748
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| Compound Name |
4-[(10S,15R)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]-1-(4-fluorophenyl)butan-1-one
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| Structure |
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| Formula |
C24H27FN2O
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| Molecular Weight |
378.491
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3CCCN2c13
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| InChI |
InChI=1S/C24H27FN2O/c25-19-10-8-17(9-11-19)23(28)7-3-13-26-15-12-22-21(16-26)20-6-1-4-18-5-2-14-27(22)24(18)20/h1,4,6,8-11,21-22H,2-3,5,7,12-16H2/t21-,22-/m1/s1
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| InChIKey |
CSRUCKYTDYTZMI-FGZHOGPDSA-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