General Information of the Compound
| Compound ID |
CP0442121
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| Compound Name |
US8802663, 155
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| Structure |
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| Formula |
C24H23N9O
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| Molecular Weight |
453.51
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| Canonical SMILES |
C(c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1)n1cnnn1
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| InChI |
InChI=1S/C24H23N9O/c1-2-4-20(5-3-1)33-22(18-10-12-25-13-11-18)21(14-27-33)24-28-23(29-34-24)19-8-6-17(7-9-19)15-32-16-26-30-31-32/h6-14,16,20H,1-5,15H2
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| InChIKey |
BDEVWHBNIVXJNV-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