General Information of the Compound
| Compound ID |
CP0503825
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| Compound Name |
US8772323, 151
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| Structure |
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| Formula |
C30H38N4O3
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| Molecular Weight |
502.659
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2C(C)(C)CCCC2(C)C)c1
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| InChI |
InChI=1S/C30H38N4O3/c1-6-20-19-26(35)32-33-27(20)21-11-12-24-25(18-21)37-28(31-24)22-9-7-10-23(17-22)36-16-15-34-29(2,3)13-8-14-30(34,4)5/h7,9-12,17-18,20H,6,8,13-16,19H2,1-5H3,(H,32,35)
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| InChIKey |
OSCUCLDKLLSRCG-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