General Information of the Compound
| Compound ID |
CP0554920
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| Compound Name |
6-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-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 |
C27H30FN3O2
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| Molecular Weight |
447.554
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCCc2cc3CCN4c3c(CCC4=O)c2)CC1
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| InChI |
InChI=1S/C27H30FN3O2/c28-22-5-6-23-24(17-22)33-29-26(23)19-8-12-30(13-9-19)11-2-1-3-18-15-20-4-7-25(32)31-14-10-21(16-18)27(20)31/h5-6,15-17,19H,1-4,7-14H2
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| InChIKey |
UIXQJBAAWGMZKH-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