General Information of the Compound
| Compound ID |
CP0098099
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| Compound Name |
[4-[4-(2-azaspiro[4.5]decan-2-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
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| Structure |
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| Formula |
C27H33FN4O2
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| Molecular Weight |
464.585
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC4(C3)CCCCC4)c2c1
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| InChI |
InChI=1S/C27H33FN4O2/c28-20-6-7-23-21(16-20)24(32-11-10-27(18-32)8-2-1-3-9-27)22(17-29-23)26(34)31-14-12-30(13-15-31)25(33)19-4-5-19/h6-7,16-17,19H,1-5,8-15,18H2
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| InChIKey |
VWEOXSRZIMDWEE-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