General Information of the Compound
| Compound ID |
CP0446172
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| Compound Name |
2-[(3R,6R,8E,11S)-6-benzyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]-N-[(4-chlorophenyl)methyl]acetamide
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| Structure |
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| Formula |
C32H33ClN2O4
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| Molecular Weight |
545.079
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| Canonical SMILES |
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\C[C@H](Cc3ccccc3)C(=O)N[C@@H](COC2=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C32H33ClN2O4/c33-28-17-15-24(16-18-28)21-34-30(36)20-27-14-8-7-13-26(19-23-9-3-1-4-10-23)31(37)35-29(22-39-32(27)38)25-11-5-2-6-12-25/h1-12,15-18,26-27,29H,13-14,19-22H2,(H,34,36)(H,35,37)/b8-7+/t26-,27+,29+/m1/s1
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| InChIKey |
CGQFZMGRUMZRJD-BRSWAKDMSA-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