General Information of the Compound
| Compound ID |
CP0481745
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| Compound Name |
15-fluoro-3-methyl-11,19-dioxa-3,4,22-triazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2(6),4,12(17),13,15,20,22-octaen-21-amine
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| Structure |
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| Formula |
C20H21FN4O2
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| Molecular Weight |
368.412
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| Canonical SMILES |
Cn1ncc2CCCCOc3ccc(F)cc3COc3cc(cnc3N)-c12
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| InChI |
InChI=1S/C20H21FN4O2/c1-25-19-13(11-24-25)4-2-3-7-26-17-6-5-16(21)8-15(17)12-27-18-9-14(19)10-23-20(18)22/h5-6,8-11H,2-4,7,12H2,1H3,(H2,22,23)
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| InChIKey |
XZDITQKBHNRUDE-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