General Information of the Compound
| Compound ID |
CP0519508
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| Compound Name |
US8933079, 9.2
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| Structure |
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| Formula |
C26H30N4O5
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| Molecular Weight |
478.549
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| Canonical SMILES |
COc1ccc(COc2cnn(CC(=O)c3ccc(CN4CCC(O)CC4)cc3C)c(=O)c2)nc1
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| InChI |
InChI=1S/C26H30N4O5/c1-18-11-19(15-29-9-7-21(31)8-10-29)3-6-24(18)25(32)16-30-26(33)12-23(14-28-30)35-17-20-4-5-22(34-2)13-27-20/h3-6,11-14,21,31H,7-10,15-17H2,1-2H3
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| InChIKey |
KHNCKDNUEHJRDV-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