General Information of the Compound
| Compound ID |
CP0899565
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| Compound Name |
US8993765, 21
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| Structure |
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| Formula |
C25H26N4O2
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| Molecular Weight |
414.509
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| Canonical SMILES |
CC(C)N1CCn2c(nc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1
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| InChI |
InChI=1S/C25H26N4O2/c1-18(2)27-12-13-29-23-9-8-20(14-22(23)26-24(29)16-27)28-11-10-21(15-25(28)30)31-17-19-6-4-3-5-7-19/h3-11,14-15,18H,12-13,16-17H2,1-2H3
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| InChIKey |
VNNPCLNJSAHFMW-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