General Information of the Compound
| Compound ID |
CP0835404
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| Compound Name |
N-(3-(3-(4-((E/Z)-1-(4-Hydroxyphenyl)-2-phenylbut-1-enyl)phenyl)acrylamido)propyl)-4-(4-oxo-2-thioxodihydroquinazolin-3-yl)butanamide
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| Structure |
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| Formula |
C40H40N4O4S
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| Molecular Weight |
672.851
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C40H40N4O4S/c1-2-33(29-10-4-3-5-11-29)38(31-20-22-32(45)23-21-31)30-18-15-28(16-19-30)17-24-37(47)42-26-9-25-41-36(46)14-8-27-44-39(48)34-12-6-7-13-35(34)43-40(44)49/h3-7,10-13,15-24,45H,2,8-9,14,25-27H2,1H3,(H,41,46)(H,42,47)(H,43,49)/b24-17+,38-33?
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| InChIKey |
BCAKAWHWPZPONC-HTPDUPNNSA-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