General Information of the Compound
| Compound ID |
CP0361572
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| Compound Name |
US8664236, A6
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| Structure |
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| Formula |
C26H25N7
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| Molecular Weight |
435.535
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C26H25N7/c1-33-16-18(14-30-33)17-11-20-21(15-29-24(20)28-13-17)22-12-23(32-25(27)31-22)26(9-5-6-10-26)19-7-3-2-4-8-19/h2-4,7-8,11-16H,5-6,9-10H2,1H3,(H,28,29)(H2,27,31,32)
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| InChIKey |
SLJDYBDWXOHEBW-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