General Information of the Compound
| Compound ID |
CP0436791
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
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| Structure |
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| Formula |
C25H27ClN2O4
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| Molecular Weight |
454.954
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| Canonical SMILES |
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-24(30)15-20-9-5-2-6-10-23(29)28-22(17-32-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,30)(H,28,29)/b5-2+/t20-,22-/m0/s1
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| InChIKey |
KADPCUBFZUHNFS-BQIDRLATSA-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