General Information of the Compound
| Compound ID |
CP0419919
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| Compound Name |
US9340555, 42
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| Structure |
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| Formula |
C31H31F2N5O5S
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| Molecular Weight |
623.682
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| Canonical SMILES |
COC(=O)C1CCCN1CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
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| InChI |
InChI=1S/C31H31F2N5O5S/c1-18-6-8-20(32)23(15-18)37-31(41)36-22-9-7-19(16-21(22)33)43-26-10-12-34-24-17-27(44-28(24)26)29(39)35-11-4-14-38-13-3-5-25(38)30(40)42-2/h6-10,12,15-17,25H,3-5,11,13-14H2,1-2H3,(H,35,39)(H2,36,37,41)
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| InChIKey |
AYTQRXZYFPTESL-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