General Information of the Compound
| Compound ID |
CP0187568
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| Compound Name |
US9340555, 27
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| Structure |
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| Formula |
C30H29F2N5O7S
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| Molecular Weight |
641.653
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| Canonical SMILES |
COC(=O)CN(CCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1)CC(=O)OC
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| InChI |
InChI=1S/C30H29F2N5O7S/c1-17-4-6-19(31)22(12-17)36-30(41)35-21-7-5-18(13-20(21)32)44-24-8-9-33-23-14-25(45-28(23)24)29(40)34-10-11-37(15-26(38)42-2)16-27(39)43-3/h4-9,12-14H,10-11,15-16H2,1-3H3,(H,34,40)(H2,35,36,41)
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| InChIKey |
OYGVKPPKBAPROS-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