General Information of the Compound
| Compound ID |
CP0250155
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| Compound Name |
US9266835, 535
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| Structure |
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| Formula |
C34H34Cl2F3N3O5S
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| Molecular Weight |
724.629
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| Canonical SMILES |
OC(=O)CCCCCOc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C34H34Cl2F3N3O5S/c35-25-10-5-22(6-11-25)33(23-7-12-26(36)13-8-23)24-9-14-29-28(20-24)30(21-31(41-29)47-19-3-1-2-4-32(43)44)40-27-15-17-42(18-16-27)48(45,46)34(37,38)39/h5-14,20-21,27,33H,1-4,15-19H2,(H,40,41)(H,43,44)
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| InChIKey |
YLLXEQXOWQTGDY-UHFFFAOYSA-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