General Information of the Compound
| Compound ID |
CP0115368
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| Compound Name |
1'-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]spiro[3H-indene-2,4'-piperidine]-1-one
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| Structure |
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| Formula |
C28H29FN4O4S
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| Molecular Weight |
536.629
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC2(Cc3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C28H29FN4O4S/c1-38(36,37)33-14-12-32(13-15-33)27(35)23-18-30-24-7-6-20(29)16-22(24)25(23)31-10-8-28(9-11-31)17-19-4-2-3-5-21(19)26(28)34/h2-7,16,18H,8-15,17H2,1H3
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| InChIKey |
MTRAJYSJPCFFJI-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