General Information of the Compound
| Compound ID |
CP0870341
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| Compound Name |
[2-({5-[5-(2,8-Dimethyl-5H-dibenzo[a,d]cyclohepten-5-yl)-2-oxo-4-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-furan-2-carbonyl}-amino)-thiazol-4-yl]-acetic acid
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| Structure |
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| Formula |
C32H26N4O5S2
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| Molecular Weight |
610.717
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| Canonical SMILES |
Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)o2)c(=O)[nH]c1=S
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| InChI |
InChI=1S/C32H26N4O5S2/c1-17-3-8-23-19(11-17)5-6-20-12-18(2)4-9-24(20)28(23)25-15-36(32(40)35-30(25)42)14-22-7-10-26(41-22)29(39)34-31-33-21(16-43-31)13-27(37)38/h3-12,15-16,28H,13-14H2,1-2H3,(H,37,38)(H,33,34,39)(H,35,40,42)
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| InChIKey |
FJLDYBQZVMOCLR-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