General Information of the Compound
| Compound ID |
CP0398728
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| Compound Name |
4-[(11S,16R)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-trien-14-yl]-1-(4-fluorophenyl)butan-1-one
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| Structure |
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| Formula |
C25H29FN2O
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| Molecular Weight |
392.518
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCCCN2c13
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| InChI |
InChI=1S/C25H29FN2O/c26-20-11-9-18(10-12-20)24(29)8-4-14-27-16-13-23-22(17-27)21-7-3-6-19-5-1-2-15-28(23)25(19)21/h3,6-7,9-12,22-23H,1-2,4-5,8,13-17H2/t22-,23-/m0/s1
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| InChIKey |
NWMJTPPMTXBOMG-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