General Information of the Compound
| Compound ID |
CP0566410
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| Compound Name |
US9428456, 1.071
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| Structure |
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| Formula |
C29H41N5O2
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| Molecular Weight |
491.68
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| Canonical SMILES |
CCN(CC)c1ccc(cn1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C29H41N5O2/c1-3-34(4-2)27-14-13-24(20-30-27)29(36)32-26-12-8-9-22(19-26)21-33-17-15-23(16-18-33)28(35)31-25-10-6-5-7-11-25/h8-9,12-14,19-20,23,25H,3-7,10-11,15-18,21H2,1-2H3,(H,31,35)(H,32,36)
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| InChIKey |
DHPLJYKFPLTVPI-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