General Information of the Compound
| Compound ID |
CP0576494
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| Compound Name |
US9428456, 1.030
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| Structure |
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| Formula |
C30H38N4O2
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| Molecular Weight |
486.66
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| Canonical SMILES |
Cn1cc(CC(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC3CCCCC3)c2)c2ccccc12
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| InChI |
InChI=1S/C30H38N4O2/c1-33-21-24(27-12-5-6-13-28(27)33)19-29(35)31-26-11-7-8-22(18-26)20-34-16-14-23(15-17-34)30(36)32-25-9-3-2-4-10-25/h5-8,11-13,18,21,23,25H,2-4,9-10,14-17,19-20H2,1H3,(H,31,35)(H,32,36)
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| InChIKey |
YKIWZTNMHNQQAA-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