General Information of the Compound
| Compound ID |
CP0309048
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| Compound Name |
4-(6-fluoropyridin-3-yl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
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| Structure |
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| Formula |
C21H17FN4O
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| Molecular Weight |
360.392
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| Canonical SMILES |
Fc1ccc(cn1)-c1cc2-c3[nH]c4CC5(CC5)NC(=O)c4c3CCc2cn1
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| InChI |
InChI=1S/C21H17FN4O/c22-17-4-2-12(10-24-17)15-7-14-11(9-23-15)1-3-13-18-16(25-19(13)14)8-21(5-6-21)26-20(18)27/h2,4,7,9-10,25H,1,3,5-6,8H2,(H,26,27)
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| InChIKey |
XQSNJSIECSWSOW-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