General Information of the Compound
| Compound ID |
CP0669838
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| Compound Name |
(S)-N-(3-(3-Fluorophenyl)propyl)-N-methyl-11-aminopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
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| Structure |
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| Formula |
C21H24FNO
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| Molecular Weight |
325.427
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| Canonical SMILES |
CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21
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| InChI |
InChI=1S/C21H24FNO/c1-23(7-3-5-10-4-2-6-11(22)8-10)20-16-12-9-13-15-14(12)18(20)19(15)21(24)17(13)16/h2,4,6,8,12-20H,3,5,7,9H2,1H3/t12?,13?,14?,15?,16?,17?,18?,19?,20-/m0/s1
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| InChIKey |
QQUOSDRKLSIRED-DKSPCFMDSA-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