General Information of the Compound
| Compound ID |
CP0700560
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| Compound Name |
US9266835, 135
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| Structure |
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| Formula |
C29H26ClF4N3O3S
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| Molecular Weight |
608.057
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| Canonical SMILES |
O=c1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(Cc3ccc(F)cc3)c3ccc(Cl)cc3)ccc2[nH]1
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| InChI |
InChI=1S/C29H26ClF4N3O3S/c30-21-6-3-19(4-7-21)24(15-18-1-8-22(31)9-2-18)20-5-10-26-25(16-20)27(17-28(38)36-26)35-23-11-13-37(14-12-23)41(39,40)29(32,33)34/h1-10,16-17,23-24H,11-15H2,(H2,35,36,38)
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| InChIKey |
PHKMBHSVEAYADC-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