General Information of the Compound
| Compound ID |
CP0562635
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| Compound Name |
1-{1-[2-Methoxy-4-(1,2,3,4-tetrahydro-naphthalen-1-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C31H32N2O5
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| Molecular Weight |
512.606
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| Canonical SMILES |
COc1cc(OC2CCCc3ccccc23)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C31H32N2O5/c1-36-29-19-24(38-28-12-6-9-21-7-2-4-10-25(21)28)13-14-26(29)30(34)32-17-15-23(16-18-32)33-27-11-5-3-8-22(27)20-37-31(33)35/h2-5,7-8,10-11,13-14,19,23,28H,6,9,12,15-18,20H2,1H3
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| InChIKey |
FQBFFCJPJFASIN-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