General Information of the Compound
| Compound ID |
CP0302459
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| Compound Name |
1'-acetyl-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 |
C24H21FN4O2
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| Molecular Weight |
416.456
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| Canonical SMILES |
CC(=O)N1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F
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| InChI |
InChI=1S/C24H21FN4O2/c1-13(30)29-11-24(12-29)10-27-23(31)20-16-7-6-14-9-26-19(15-4-2-3-5-18(15)25)8-17(14)21(16)28-22(20)24/h2-5,8-9,28H,6-7,10-12H2,1H3,(H,27,31)
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| InChIKey |
QQKZBJOOMPFURC-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