General Information of the Compound
| Compound ID |
CP0264788
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| Compound Name |
US9340555, 19
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| Structure |
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| Formula |
C31H32FN5O7S
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| Molecular Weight |
637.69
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| Canonical SMILES |
COC(=O)CN(CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1)CC(=O)OC
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| InChI |
InChI=1S/C31H32FN5O7S/c1-19-5-10-22(32)23(15-19)36-31(41)35-20-6-8-21(9-7-20)44-25-11-13-33-24-16-26(45-29(24)25)30(40)34-12-4-14-37(17-27(38)42-2)18-28(39)43-3/h5-11,13,15-16H,4,12,14,17-18H2,1-3H3,(H,34,40)(H2,35,36,41)
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| InChIKey |
WSHIGLALBLRQGR-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