General Information of the Compound
| Compound ID |
CP0525183
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| Compound Name |
US9266877, 47
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| Structure |
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| Formula |
C38H37N7O4S
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| Molecular Weight |
687.826
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| Canonical SMILES |
CN(C)CCCOc1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C38H37N7O4S/c1-43(2)18-8-20-49-32-13-5-3-9-26(32)22-45-23-27(21-39-45)28-15-16-34(41-35(28)37(47)48)44-19-17-25-10-7-11-29(30(25)24-44)36(46)42-38-40-31-12-4-6-14-33(31)50-38/h3-7,9-16,21,23H,8,17-20,22,24H2,1-2H3,(H,47,48)(H,40,42,46)
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| InChIKey |
CAPFUCBHTFYKQQ-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