General Information of the Compound
| Compound ID |
CP0554921
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| Compound Name |
6-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxybutyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
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| Structure |
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| Formula |
C27H30FN3O3
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| Molecular Weight |
463.553
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| Canonical SMILES |
OC(CCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
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| InChI |
InChI=1S/C27H30FN3O3/c28-21-4-5-22-24(16-21)34-29-26(22)17-7-11-30(12-8-17)10-1-2-23(32)20-14-18-3-6-25(33)31-13-9-19(15-20)27(18)31/h4-5,14-17,23,32H,1-3,6-13H2
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| InChIKey |
XAWSBCLNNJQTCA-UHFFFAOYSA-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2