General Information of the Compound
| Compound ID |
CP0046930
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| Compound Name |
12-(2-fluorophenyl)-1'-methylspiro[4,8,13-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),10,12,14-pentaene-6,3'-azetidine]-3-one
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| Structure |
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| Formula |
C22H19FN4O
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| Molecular Weight |
374.419
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| Canonical SMILES |
CN1CC2(C1)CNC(=O)c1c3Cc4cnc(cc4-c3[nH]c21)-c1ccccc1F
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| InChI |
InChI=1S/C22H19FN4O/c1-27-10-22(11-27)9-25-21(28)18-15-6-12-8-24-17(13-4-2-3-5-16(13)23)7-14(12)19(15)26-20(18)22/h2-5,7-8,26H,6,9-11H2,1H3,(H,25,28)
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| InChIKey |
CGWPHUQUDGTDTM-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