General Information of the Compound
| Compound ID |
CP0789708
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| Compound Name |
SID49713768
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| Structure |
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| Formula |
C28H30N4O4
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| Molecular Weight |
486.572
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| Canonical SMILES |
NC(=O)CC(NC(=O)c1ccccc1)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C28H30N4O4/c29-27(33)19-24(30-28(34)22-9-5-2-6-10-22)23-11-12-25(26(18-23)32(35)36)31-15-13-21(14-16-31)17-20-7-3-1-4-8-20/h1-12,18,21,24H,13-17,19H2,(H2,29,33)(H,30,34)
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| InChIKey |
ITJFNDOKZUXPKM-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