General Information of the Compound
| Compound ID |
CP0849307
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| Compound Name |
(S)-3-(4'-Pentyl[2,2,2]bicyclo-octane-1'-carbonyl)amino-caprolactam
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| Structure |
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| Formula |
C20H34N2O2
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| Molecular Weight |
334.504
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| Canonical SMILES |
CCCCCC12CCC(C(=O)N[C@H]3CCCCNC3=O)(CC1)CC2
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| InChI |
InChI=1S/C20H34N2O2/c1-2-3-5-8-19-9-12-20(13-10-19,14-11-19)18(24)22-16-7-4-6-15-21-17(16)23/h16H,2-15H2,1H3,(H,21,23)(H,22,24)/t16-,19?,20?/m0/s1
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| InChIKey |
KNDFKRSFYXXTPN-DZIBYMRMSA-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