General Information of the Compound
| Compound ID |
CP0500376
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| Compound Name |
US8791272, 2.44
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| Structure |
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| Formula |
C35H27N3O3
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| Molecular Weight |
537.619
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| Canonical SMILES |
OC(=O)Cc1c(nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c1-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C35H27N3O3/c39-32(40)22-31-33(26-10-3-1-4-11-26)37-38(34(31)27-12-5-2-6-13-27)23-24-15-19-30(20-16-24)36-35(41)29-18-17-25-9-7-8-14-28(25)21-29/h1-21H,22-23H2,(H,36,41)(H,39,40)
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| InChIKey |
APDZRCXXAMEQSO-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