General Information of the Compound
| Compound ID |
CP0564914
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| Compound Name |
US9233111, 24
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| Structure |
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| Formula |
C29H29FN4OS
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| Molecular Weight |
500.643
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cc(F)cc1-c1ncnc2[nH]c(cc12)C1=CCSCC1
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| InChI |
InChI=1S/C29H29FN4OS/c1-17-22(26-23-15-25(18-9-11-36-12-10-18)33-27(23)32-16-31-26)13-21(30)14-24(17)34-28(35)19-5-7-20(8-6-19)29(2,3)4/h5-9,13-16H,10-12H2,1-4H3,(H,34,35)(H,31,32,33)
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| InChIKey |
ZWWQAKIQAPSJRV-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