General Information of the Compound
| Compound ID |
CP0381129
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E,11S)-5,12-dioxo-2-phenyl-11-(propan-2-ylamino)-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
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| Structure |
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| Formula |
C28H34ClN3O4
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| Molecular Weight |
512.05
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| Canonical SMILES |
CC(C)N[C@H]1C\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)NC[C@H](OC1=O)c1ccccc1
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| InChI |
InChI=1S/C28H34ClN3O4/c1-19(2)32-24-11-7-6-10-22(16-26(33)30-17-20-12-14-23(29)15-13-20)27(34)31-18-25(36-28(24)35)21-8-4-3-5-9-21/h3-9,12-15,19,22,24-25,32H,10-11,16-18H2,1-2H3,(H,30,33)(H,31,34)/b7-6+/t22-,24-,25-/m0/s1
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| InChIKey |
LDCUQDPDQRESSW-QYQZZREXSA-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