General Information of the Compound
| Compound ID |
CP0042906
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| Compound Name |
(8S)-N-[3-(3-fluorophenyl)propyl]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
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| Structure |
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| Formula |
C20H24FN
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| Molecular Weight |
297.417
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| Canonical SMILES |
Fc1cccc(CCCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1
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| InChI |
InChI=1S/C20H24FN/c21-11-5-1-3-10(7-11)4-2-6-22-20-17-13-9-14-16-12(13)8-15(17)18(16)19(14)20/h1,3,5,7,12-20,22H,2,4,6,8-9H2/t12?,13?,14?,15?,16?,17?,18?,19?,20-/m0/s1
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| InChIKey |
SJWCMFMHVZULSJ-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