General Information of the Compound
| Compound ID |
CP0446174
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| Compound Name |
(2R,6S,8E)-6-[(4-chlorophenyl)methyl]-4-methyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
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| Structure |
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| Formula |
C24H26ClNO3
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| Molecular Weight |
411.929
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| Canonical SMILES |
CN1C[C@H](OC(=O)CC\C=C\C[C@@H](Cc2ccc(Cl)cc2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C24H26ClNO3/c1-26-17-22(19-8-4-2-5-9-19)29-23(27)11-7-3-6-10-20(24(26)28)16-18-12-14-21(25)15-13-18/h2-6,8-9,12-15,20,22H,7,10-11,16-17H2,1H3/b6-3+/t20-,22-/m0/s1
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| InChIKey |
FDSZEPJEHLNGEA-FZQIFAQWSA-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