General Information of the Compound
| Compound ID |
CP0300378
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| Compound Name |
US8664236, A22
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| Structure |
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| Formula |
C25H23N9O2
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| Molecular Weight |
481.52
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CC(O)CO)c3cccc(c3)C#N)c2c1
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| InChI |
InChI=1S/C25H23N9O2/c1-33-12-17(10-30-33)16-6-20-21(11-29-24(20)28-9-16)22-7-23(32-25(27)31-22)34(13-19(36)14-35)18-4-2-3-15(5-18)8-26/h2-7,9-12,19,35-36H,13-14H2,1H3,(H,28,29)(H2,27,31,32)
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| InChIKey |
VODCQGKUXBDFPS-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