General Information of the Compound
| Compound ID |
CP0475390
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| Compound Name |
US8822510, 100
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| Structure |
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| Formula |
C28H30FN3O3
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| Molecular Weight |
475.564
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(C\C=C\C3(CCCCC3)c3ccc(F)cc3)n2)C1
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| InChI |
InChI=1S/C28H30FN3O3/c29-24-12-10-23(11-13-24)28(14-2-1-3-15-28)16-4-5-25-30-26(31-35-25)21-8-6-20(7-9-21)17-32-18-22(19-32)27(33)34/h4,6-13,16,22H,1-3,5,14-15,17-19H2,(H,33,34)/b16-4+
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| InChIKey |
NOXSATRUHOQIES-AYSLTRBKSA-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