General Information of the Compound
| Compound ID |
CP0243634
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| Compound Name |
US9340555, 50
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| Structure |
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| Formula |
C30H29F2N5O5S
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| Molecular Weight |
609.655
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCCN3CCC(C3)C(O)=O)cc2F)c1
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| InChI |
InChI=1S/C30H29F2N5O5S/c1-17-3-5-20(31)23(13-17)36-30(41)35-22-6-4-19(14-21(22)32)42-25-7-10-33-24-15-26(43-27(24)25)28(38)34-9-2-11-37-12-8-18(16-37)29(39)40/h3-7,10,13-15,18H,2,8-9,11-12,16H2,1H3,(H,34,38)(H,39,40)(H2,35,36,41)
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| InChIKey |
UNERFOYGRRSDAU-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