General Information of the Compound
| Compound ID |
CP0144527
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| Compound Name |
US8680275, 67
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| Structure |
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| Formula |
C24H21N7O
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| Molecular Weight |
423.48
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| Canonical SMILES |
O=C(N1CC2CN(C2C1)c1nccc(n1)-c1ccccc1)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C24H21N7O/c32-23(19-8-4-5-9-21(19)31-26-12-13-27-31)29-14-18-15-30(22(18)16-29)24-25-11-10-20(28-24)17-6-2-1-3-7-17/h1-13,18,22H,14-16H2
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| InChIKey |
UIAYSTIWMICWGB-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