General Information of the Compound
| Compound ID |
CP0851211
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| Compound Name |
CHEMBL3961696
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| Structure |
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| Formula |
C29H42N4O4
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| Molecular Weight |
510.679
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)C2(CCCC2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C29H42N4O4/c1-21(2)20-23-25(34)32-29(15-7-8-16-29)27(36)33-28(13-5-6-14-28)26(35)31-17-9-11-22-10-3-4-12-24(22)37-19-18-30-23/h3-4,9-12,21,23,30H,5-8,13-20H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)/b11-9-/t23-/m0/s1
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| InChIKey |
FFCXJXXNEYZJSH-IDWGIVCRSA-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