General Information of the Compound
| Compound ID |
CP0512119
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| Compound Name |
US8772323, 67
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| Structure |
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| Formula |
C30H36N4O5
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| Molecular Weight |
532.641
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C30H36N4O5/c1-5-20-17-26(35)32-33-27(20)22-8-11-24-25(16-22)38-28(31-24)21-6-9-23(10-7-21)37-18-19-12-14-34(15-13-19)29(36)39-30(2,3)4/h6-11,16,19-20H,5,12-15,17-18H2,1-4H3,(H,32,35)
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| InChIKey |
VEEGDSOLGRZCBM-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