General Information of the Compound
| Compound ID |
CP0132770
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| Compound Name |
US9340555, 69
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| Structure |
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| Formula |
C28H30FN5O3S
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| Molecular Weight |
535.645
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1
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| InChI |
InChI=1S/C28H30FN5O3S/c1-4-34(5-2)15-14-31-27(35)25-17-23-26(38-25)24(12-13-30-23)37-20-9-7-19(8-10-20)32-28(36)33-22-16-18(3)6-11-21(22)29/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,31,35)(H2,32,33,36)
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| InChIKey |
YCZNRSBAKIVMMQ-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