General Information of the Compound
| Compound ID |
CP0222135
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| Compound Name |
US8680275, 14
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| Structure |
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| Formula |
C26H23N5O
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| Molecular Weight |
421.504
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| Canonical SMILES |
O=C(N1CCC2CN(C2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
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| InChI |
InChI=1S/C26H23N5O/c32-26(21-8-2-1-7-20(21)18-6-5-12-27-14-18)30-13-11-19-16-31(24(19)17-30)25-15-28-22-9-3-4-10-23(22)29-25/h1-10,12,14-15,19,24H,11,13,16-17H2
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| InChIKey |
HNGPNDUPZZQYMH-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