General Information of the Compound
| Compound ID |
CP0413224
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| Compound Name |
US9428456, 1.026
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| Structure |
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| Formula |
C29H36N4O2
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| Molecular Weight |
472.633
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| Canonical SMILES |
Cn1cc(C(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC3CCCCC3)c2)c2ccccc12
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| InChI |
InChI=1S/C29H36N4O2/c1-32-20-26(25-12-5-6-13-27(25)32)29(35)31-24-11-7-8-21(18-24)19-33-16-14-22(15-17-33)28(34)30-23-9-3-2-4-10-23/h5-8,11-13,18,20,22-23H,2-4,9-10,14-17,19H2,1H3,(H,30,34)(H,31,35)
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| InChIKey |
AJRBHNUBIKWFAI-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