General Information of the Compound
| Compound ID |
CP0506801
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| Compound Name |
US8969325, 317
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| Structure |
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| Formula |
C24H28N4O4
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| Molecular Weight |
436.512
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| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc34)cc2NC1=O
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| InChI |
InChI=1S/C24H28N4O4/c29-12-11-28-15-16-7-8-17(13-19(16)27-23(28)31)25-22(30)26-20-14-24(9-3-4-10-24)32-21-6-2-1-5-18(20)21/h1-2,5-8,13,20,29H,3-4,9-12,14-15H2,(H,27,31)(H2,25,26,30)/t20-/m1/s1
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| InChIKey |
NGHDBGDPQWESTF-HXUWFJFHSA-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