General Information of the Compound
| Compound ID |
CP0445333
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| Compound Name |
2-[(3R,8E,11S)-3-butyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]-N-[(4-chlorophenyl)methyl]acetamide
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| Structure |
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| Formula |
C23H31ClN2O4
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| Molecular Weight |
434.964
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| Canonical SMILES |
CCCC[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1
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| InChI |
InChI=1S/C23H31ClN2O4/c1-2-3-8-20-16-30-23(29)18(7-5-4-6-9-21(27)26-20)14-22(28)25-15-17-10-12-19(24)13-11-17/h4-5,10-13,18,20H,2-3,6-9,14-16H2,1H3,(H,25,28)(H,26,27)/b5-4+/t18-,20+/m0/s1
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| InChIKey |
ZJNCEHKQJIBTBX-LJGXYGFNSA-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