General Information of the Compound
| Compound ID |
CP0950473
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| Compound Name |
N-[4-(3-(4-((E/Z)-1-(4-Hydroxyphenyl)-2-phenylbut-1-enyl)phenyl)acrylamido)butyl]-8-(4-oxo-2-thioxodihydroquinazolin-3-yl)octanamide
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| Structure |
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| Formula |
C45H50N4O4S
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| Molecular Weight |
742.986
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCNC(=O)CCCCCCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C45H50N4O4S/c1-2-38(34-15-7-6-8-16-34)43(36-25-27-37(50)28-26-36)35-23-20-33(21-24-35)22-29-42(52)47-31-13-12-30-46-41(51)19-9-4-3-5-14-32-49-44(53)39-17-10-11-18-40(39)48-45(49)54/h6-8,10-11,15-18,20-29,50H,2-5,9,12-14,19,30-32H2,1H3,(H,46,51)(H,47,52)(H,48,54)/b29-22+,43-38?
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| InChIKey |
HSYYLBRNKCHQFK-WELVUVILSA-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