General Information of the Compound
| Compound ID |
CP0713773
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| Compound Name |
US9266835, 65
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| Structure |
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| Formula |
C29H24ClF3N4O3S2
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| Molecular Weight |
633.117
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| Canonical SMILES |
O=c1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3nc4ccccc4s3)ccc2[nH]1
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| InChI |
InChI=1S/C29H24ClF3N4O3S2/c30-19-8-5-17(6-9-19)27(28-36-23-3-1-2-4-25(23)41-28)18-7-10-22-21(15-18)24(16-26(38)35-22)34-20-11-13-37(14-12-20)42(39,40)29(31,32)33/h1-10,15-16,20,27H,11-14H2,(H2,34,35,38)
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| InChIKey |
FVBBTLSXJFALDH-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