General Information of the Compound
| Compound ID |
CP0160608
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| Compound Name |
4-(6-fluoropyridin-3-yl)-1'-methylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
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| Structure |
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| Formula |
C21H19FN6O
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| Molecular Weight |
390.422
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| Canonical SMILES |
CN1CC2(C1)CNC(=O)c1c3CCc4cnc(nc4-c3[nH]c21)-c1ccc(F)nc1
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| InChI |
InChI=1S/C21H19FN6O/c1-28-9-21(10-28)8-25-20(29)15-13-4-2-11-6-24-19(12-3-5-14(22)23-7-12)27-16(11)17(13)26-18(15)21/h3,5-7,26H,2,4,8-10H2,1H3,(H,25,29)
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| InChIKey |
WPSLEAFBLLIBPF-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