General Information of the Compound
| Compound ID |
CP0964731
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| Compound Name |
US8921559, 3
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| Formula |
C30H34F2N4O2
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| Molecular Weight |
520.624
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| Canonical SMILES |
NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1
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| InChI |
InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5+/t20-,24+,29?
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| InChIKey |
IVUXLLAISPCXRU-WAPYGTBESA-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