General Information of the Compound
| Compound ID |
CP0098097
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| Compound Name |
[4-[4-(2-azaspiro[3.5]nonan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
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| Structure |
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| Formula |
C26H31FN4O2
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| Molecular Weight |
450.558
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CC4(C3)CCCCC4)c2c1
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| InChI |
InChI=1S/C26H31FN4O2/c27-19-6-7-22-20(14-19)23(31-16-26(17-31)8-2-1-3-9-26)21(15-28-22)25(33)30-12-10-29(11-13-30)24(32)18-4-5-18/h6-7,14-15,18H,1-5,8-13,16-17H2
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| InChIKey |
MBJYXSTVYPCPKE-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