General Information of the Compound
| Compound ID |
CP0341521
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-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 |
C20H19ClFN3O4
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| Molecular Weight |
419.84
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)cc1Cl
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| InChI |
InChI=1S/C20H19ClFN3O4/c21-15-9-13(1-2-16(15)22)25-20-14-10-18-19(11-17(14)23-12-24-20)29-8-6-27-4-3-26-5-7-28-18/h1-2,9-12H,3-8H2,(H,23,24,25)
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| InChIKey |
DHDUWXQFEYJFTD-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