General Information of the Compound
| Compound ID |
CP0464902
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| Compound Name |
US8802711, 25
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
Cn1ncc2c(NC(=O)N[C@H]3CC[C@H](C3)c3ccccc3)cccc12
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| InChI |
InChI=1S/C20H22N4O/c1-24-19-9-5-8-18(17(19)13-21-24)23-20(25)22-16-11-10-15(12-16)14-6-3-2-4-7-14/h2-9,13,15-16H,10-12H2,1H3,(H2,22,23,25)/t15-,16+/m1/s1
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| InChIKey |
ZUBKNAZCFHWQRU-CVEARBPZSA-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