General Information of the Compound
| Compound ID |
CP0808704
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| Compound Name |
US9266835, 137
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| Structure |
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| Formula |
C32H33ClF3N5O3S
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| Molecular Weight |
660.162
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| Canonical SMILES |
O=c1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)N3CCN(c4ccccc4)CC3)ccc2[nH]1
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| InChI |
InChI=1S/C32H33ClF3N5O3S/c33-24-9-6-22(7-10-24)31(40-18-16-39(17-19-40)26-4-2-1-3-5-26)23-8-11-28-27(20-23)29(21-30(42)38-28)37-25-12-14-41(15-13-25)45(43,44)32(34,35)36/h1-11,20-21,25,31H,12-19H2,(H2,37,38,42)
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| InChIKey |
UKOPUEDKVWUBMD-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