General Information of the Compound
| Compound ID |
CP0561731
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| Compound Name |
US9290454, 3.2
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| Structure |
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| Formula |
C31H28F2N2O4
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| Molecular Weight |
530.571
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| Canonical SMILES |
OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2cc(F)ccc12
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| InChI |
InChI=1S/C31H28F2N2O4/c32-22-9-12-24(13-10-22)35-25(5-1-2-7-29(36)37)18-21-16-20(8-14-27(21)31(35)39)30(38)34-28-6-3-4-19-17-23(33)11-15-26(19)28/h8-18,28H,1-7H2,(H,34,38)(H,36,37)/t28-/m1/s1
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| InChIKey |
GMTWJEZQOQMIRZ-MUUNZHRXSA-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