General Information of the Compound
| Compound ID |
CP0243802
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| Compound Name |
1'-ethyl-4-(2-fluorophenyl)spiro[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 |
C24H23FN4O
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| Molecular Weight |
402.473
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| Canonical SMILES |
CCN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
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| InChI |
InChI=1S/C24H23FN4O/c1-2-29-12-24(13-29)11-27-23(30)20-16-8-7-14-10-26-19(15-5-3-4-6-18(15)25)9-17(14)21(16)28-22(20)24/h3-6,9-10,28H,2,7-8,11-13H2,1H3,(H,27,30)
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| InChIKey |
UOMHQTLFZRDKJX-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