General Information of the Compound
| Compound ID |
CP0315123
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| Compound Name |
4-(6-fluoropyridin-3-yl)-1'-methylspiro[5,13,17-triazatetracyclo[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 |
C22H20FN5O
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| Molecular Weight |
389.434
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| Canonical SMILES |
CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccc(F)nc1
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| InChI |
InChI=1S/C22H20FN5O/c1-28-10-22(11-28)9-26-21(29)18-14-4-2-12-7-24-16(13-3-5-17(23)25-8-13)6-15(12)19(14)27-20(18)22/h3,5-8,27H,2,4,9-11H2,1H3,(H,26,29)
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| InChIKey |
PSLJFZFZLOVUSG-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