General Information of the Compound
| Compound ID |
CP0566269
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| Compound Name |
US9428456, 1.048
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| Structure |
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| Formula |
C30H35N3O2
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| Molecular Weight |
469.629
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3cccc4ccccc34)c2)CC1
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| InChI |
InChI=1S/C30H35N3O2/c34-29(31-25-11-2-1-3-12-25)24-16-18-33(19-17-24)21-22-8-6-13-26(20-22)32-30(35)28-15-7-10-23-9-4-5-14-27(23)28/h4-10,13-15,20,24-25H,1-3,11-12,16-19,21H2,(H,31,34)(H,32,35)
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| InChIKey |
KRZCGVNZELVVOB-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