General Information of the Compound
| Compound ID |
CP0046929
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| Compound Name |
4-(4-methoxyphenyl)-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one
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| Structure |
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| Formula |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
COc1ccc(cc1)-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
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| InChI |
InChI=1S/C21H19N3O2/c1-26-14-5-2-12(3-6-14)18-10-16-13(11-23-18)4-7-15-19-17(24-20(15)16)8-9-22-21(19)25/h2-3,5-6,10-11,24H,4,7-9H2,1H3,(H,22,25)
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| InChIKey |
REVLWXOESFWXGT-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