General Information of the Compound
| Compound ID |
CP0532942
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| Compound Name |
3-(1-aminocyclopropanecarbonyl)-11-fluoro-3,6,7,16-tetrazatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),5,9(14),10,12-pentaen-8-one
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| Formula |
C16H14FN5O2
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| Molecular Weight |
327.319
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| Canonical SMILES |
NC1(CC1)C(=O)N1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
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| InChI |
InChI=1S/C16H14FN5O2/c17-7-3-8-12-9(4-7)19-10-5-22(15(24)16(18)1-2-16)6-11(13(10)12)20-21-14(8)23/h3-4,19H,1-2,5-6,18H2,(H,21,23)
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| InChIKey |
YQQZSZUQOWRTCC-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