General Information of the Compound
| Compound ID |
CP0870763
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| Compound Name |
SID56422319
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| Structure |
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| Formula |
C27H29N5O6
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| Molecular Weight |
519.558
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| Canonical SMILES |
Nc1c(N(CCC2=CCCCC2)C(=O)COc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c(=O)n1Cc1ccccc1
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| InChI |
InChI=1S/C27H29N5O6/c28-25-24(26(34)29-27(35)31(25)17-20-9-5-2-6-10-20)30(16-15-19-7-3-1-4-8-19)23(33)18-38-22-13-11-21(12-14-22)32(36)37/h2,5-7,9-14H,1,3-4,8,15-18,28H2,(H,29,34,35)
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| InChIKey |
GKEKJSRJUZQPFD-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