General Information of the Compound
| Compound ID |
CP0665416
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| Compound Name |
SID17505483
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| Structure |
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| Formula |
C21H19ClN2O6
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| Molecular Weight |
430.844
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| Canonical SMILES |
COc1ccc(CCNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1OC
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| InChI |
InChI=1S/C21H19ClN2O6/c1-28-18-6-3-13(11-20(18)29-2)9-10-23-21(25)19-8-7-17(30-19)15-5-4-14(24(26)27)12-16(15)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)
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| InChIKey |
SGVBDHYNRWMRHS-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