General Information of the Compound
| Compound ID |
CP0515001
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| Compound Name |
US9056859, 96
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| Structure |
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| Formula |
C25H27N7O3
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| Molecular Weight |
473.537
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
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| InChI |
InChI=1S/C25H27N7O3/c1-16-17(2-3-20-21(16)14-35-25(20)34)8-9-30-10-12-31(13-11-30)24(33)19-4-6-22-18(19)5-7-23(27-22)32-15-26-28-29-32/h2-3,5,7,15,19H,4,6,8-14H2,1H3
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| InChIKey |
MXTHMENPACHKIA-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