General Information of the Compound
| Compound ID |
CP0943750
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| Compound Name |
N-(3-(3-(4-((E/Z)-1-(4-Hydroxyphenyl)-2-phenylbut-1-enyl)phenyl)acrylamido)propyl)-4-(4-(8-(4-oxo-2-thioxodihydroquinazolin-3-yl)octanoyl)piperazin-1-yl)benzamide
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| Structure |
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| Formula |
C55H60N6O5S
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| Molecular Weight |
917.189
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)c2ccc(N3CCN(C(=O)CCCCCCCn4c(=S)[nH]c5ccccc5c4=O)CC3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C55H60N6O5S/c1-2-47(41-14-7-6-8-15-41)52(43-26-30-46(62)31-27-43)42-22-19-40(20-23-42)21-32-50(63)56-33-13-34-57-53(65)44-24-28-45(29-25-44)59-36-38-60(39-37-59)51(64)18-9-4-3-5-12-35-61-54(66)48-16-10-11-17-49(48)58-55(61)67/h6-8,10-11,14-17,19-32,62H,2-5,9,12-13,18,33-39H2,1H3,(H,56,63)(H,57,65)(H,58,67)/b32-21+,52-47?
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| InChIKey |
CZGDEAFDAONGHS-CLOQWIPESA-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