General Information of the Compound
| Compound ID |
CP0315870
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| Compound Name |
4-(3-fluoro-4-methoxyphenyl)-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16)-hexaen-12-one
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| Structure |
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| Formula |
C21H16FN3O2
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| Molecular Weight |
361.376
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| Canonical SMILES |
COc1ccc(cc1F)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
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| InChI |
InChI=1S/C21H16FN3O2/c1-27-18-5-3-11(8-15(18)22)17-9-14-12(10-24-17)2-4-13-19-16(25-20(13)14)6-7-23-21(19)26/h2-5,8-10,25H,6-7H2,1H3,(H,23,26)
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| InChIKey |
HPRZHOXXSQXEIJ-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