General Information of the Compound
| Compound ID |
CP0442960
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| Compound Name |
US8802663, 101
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| Structure |
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| Formula |
C25H24N6O3
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| Molecular Weight |
456.506
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cnn(CC3CC3)c2-c2ccncc2)C1
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| InChI |
InChI=1S/C25H24N6O3/c32-25(33)20-14-30(15-20)12-16-3-5-19(6-4-16)23-28-24(34-29-23)21-11-27-31(13-17-1-2-17)22(21)18-7-9-26-10-8-18/h3-11,17,20H,1-2,12-15H2,(H,32,33)
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| InChIKey |
VBAGMWUDVFGGJX-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