General Information of the Compound
| Compound ID |
CP0513271
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(5E,11R)-2,9-dioxo-11-phenyl-1-oxa-3,10-diazacyclododec-5-en-3-yl]acetamide
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| Structure |
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| Formula |
C24H26ClN3O4
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| Molecular Weight |
455.942
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| Canonical SMILES |
Clc1ccc(CNC(=O)CN2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H26ClN3O4/c25-20-12-10-18(11-13-20)15-26-23(30)16-28-14-6-2-5-9-22(29)27-21(17-32-24(28)31)19-7-3-1-4-8-19/h1-4,6-8,10-13,21H,5,9,14-17H2,(H,26,30)(H,27,29)/b6-2+/t21-/m0/s1
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| InChIKey |
IADGNCNLTQZFBV-FNLFUECCSA-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