General Information of the Compound
| Compound ID |
CP0140204
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| Compound Name |
N-(3-chlorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
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| Structure |
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| Formula |
C20H20ClN3O4
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| Molecular Weight |
401.85
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
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| InChI |
InChI=1S/C20H20ClN3O4/c21-14-2-1-3-15(10-14)24-20-16-11-18-19(12-17(16)22-13-23-20)28-9-7-26-5-4-25-6-8-27-18/h1-3,10-13H,4-9H2,(H,22,23,24)
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| InChIKey |
JOFVJRWULICIKS-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