General Information of the Compound
| Compound ID |
CP0449561
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6S,8E)-3,4-dimethyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
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| Structure |
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| Formula |
C27H31ClN2O4
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| Molecular Weight |
483.008
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| Canonical SMILES |
C[C@H]1[C@H](OC(=O)CC\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C)c1ccccc1
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| InChI |
InChI=1S/C27H31ClN2O4/c1-19-26(21-9-5-3-6-10-21)34-25(32)12-8-4-7-11-22(27(33)30(19)2)17-24(31)29-18-20-13-15-23(28)16-14-20/h3-7,9-10,13-16,19,22,26H,8,11-12,17-18H2,1-2H3,(H,29,31)/b7-4+/t19-,22-,26-/m0/s1
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| InChIKey |
VHDCLXBXMSVMBZ-MWZGVQAKSA-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