General Information of the Compound
| Compound ID |
CP0567519
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| Compound Name |
4-[3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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| Formula |
C25H23NO4
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| Molecular Weight |
401.462
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| Canonical SMILES |
C[C@H](Oc1cccc(c1)N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C25H23NO4/c1-14-6-8-16(9-7-14)23(27)15(2)30-20-5-3-4-19(13-20)26-24(28)21-17-10-11-18(12-17)22(21)25(26)29/h3-11,13,15,17-18,21-22H,12H2,1-2H3/t15-,17?,18?,21?,22?/m0/s1
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| InChIKey |
PJXPUPWAJMKDTG-FQGJTKFESA-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