General Information of the Compound
| Compound ID |
CP0429622
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| Compound Name |
6-[5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypentyl]-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 |
C28H32FN3O3
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| Molecular Weight |
477.58
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| Canonical SMILES |
OC(CCCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
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| InChI |
InChI=1S/C28H32FN3O3/c29-22-5-6-23-25(17-22)35-30-27(23)18-8-12-31(13-9-18)11-2-1-3-24(33)21-15-19-4-7-26(34)32-14-10-20(16-21)28(19)32/h5-6,15-18,24,33H,1-4,7-14H2
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| InChIKey |
HRYKMSOBBFZAAT-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