General Information of the Compound
| Compound ID |
CP0506707
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| Compound Name |
19-amino-13-fluoro-9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile
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| Structure |
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| Formula |
C18H14FN5O2
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| Molecular Weight |
351.341
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| Canonical SMILES |
Nc1ncc-2cc1OCc1cc(F)ccc1OCCc1n[nH]c(C#N)c-21
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| InChI |
InChI=1S/C18H14FN5O2/c19-12-1-2-15-11(5-12)9-26-16-6-10(8-22-18(16)21)17-13(3-4-25-15)23-24-14(17)7-20/h1-2,5-6,8H,3-4,9H2,(H2,21,22)(H,23,24)
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| InChIKey |
JPFKGTKMTHTBAD-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