General Information of the Compound
| Compound ID |
CP0887071
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| Compound Name |
US8921559, 24
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| Formula |
C31H35F2N3O3
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| Molecular Weight |
535.635
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| Canonical SMILES |
COC(=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/C31H35F2N3O3/c1-39-31(38)30(35-25-9-7-21(8-10-25)27-19-34-28-5-3-2-4-26(27)28)22-12-14-36(15-13-22)29(37)11-6-20-16-23(32)18-24(33)17-20/h2-6,11,16-19,21-22,25,30,34-35H,7-10,12-15H2,1H3/b11-6+/t21-,25-,30?
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| InChIKey |
DTJYFWILKJQNHU-SMAPVMHWSA-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