General Information of the Compound
| Compound ID |
CP0173796
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| Compound Name |
US9340555, 14
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| Structure |
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| Formula |
C33H37FN6O5S
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| Molecular Weight |
648.761
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| Canonical SMILES |
CCOC(=O)CN1CCN(CCCNC(=O)c2cc3nccc(Oc4ccc(NC(=O)Nc5cc(C)ccc5F)cc4)c3s2)CC1
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| InChI |
InChI=1S/C33H37FN6O5S/c1-3-44-30(41)21-40-17-15-39(16-18-40)14-4-12-36-32(42)29-20-27-31(46-29)28(11-13-35-27)45-24-8-6-23(7-9-24)37-33(43)38-26-19-22(2)5-10-25(26)34/h5-11,13,19-20H,3-4,12,14-18,21H2,1-2H3,(H,36,42)(H2,37,38,43)
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| InChIKey |
CSJKWUOGGSICJS-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