General Information of the Compound
| Compound ID |
CP0148843
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| Compound Name |
US8680275, 12
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
COc1cccc(CO)c1C(=O)N1CCC2CN(C2C1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C23H24N4O3/c1-30-20-8-4-5-16(14-28)22(20)23(29)26-10-9-15-12-27(19(15)13-26)21-11-24-17-6-2-3-7-18(17)25-21/h2-8,11,15,19,28H,9-10,12-14H2,1H3
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| InChIKey |
IDIJBBRKTQVXER-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