General Information of the Compound
| Compound ID |
CP0274646
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| Compound Name |
US9340555, 70
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| Structure |
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| Formula |
C29H32FN5O3S
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| Molecular Weight |
549.672
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| Canonical SMILES |
CCN(CC)CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1
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| InChI |
InChI=1S/C29H32FN5O3S/c1-4-35(5-2)16-6-14-32-28(36)26-18-24-27(39-26)25(13-15-31-24)38-21-10-8-20(9-11-21)33-29(37)34-23-17-19(3)7-12-22(23)30/h7-13,15,17-18H,4-6,14,16H2,1-3H3,(H,32,36)(H2,33,34,37)
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| InChIKey |
TYSQFVMRVYDAEQ-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