General Information of the Compound
| Compound ID |
CP0410943
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| Compound Name |
[4-[4-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
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| Structure |
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| Formula |
C25H29FN4O2
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| Molecular Weight |
436.531
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3C[C@H]4CC[C@H](C4)C3)c2c1
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| InChI |
InChI=1S/C25H29FN4O2/c26-19-5-6-22-20(12-19)23(30-14-16-1-2-17(11-16)15-30)21(13-27-22)25(32)29-9-7-28(8-10-29)24(31)18-3-4-18/h5-6,12-13,16-18H,1-4,7-11,14-15H2/t16-,17+
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| InChIKey |
FXZAPJHAPIHXCY-CALCHBBNSA-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