General Information of the Compound
| Compound ID |
CP0945828
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| Compound Name |
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-(piperazin-1-yl)acetate
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| Structure |
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| Formula |
C16H28N2O2
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| Molecular Weight |
280.412
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| Canonical SMILES |
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CN1CCNCC1)C2
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| InChI |
InChI=1S/C16H28N2O2/c1-15(2)12-4-5-16(15,3)13(10-12)20-14(19)11-18-8-6-17-7-9-18/h12-13,17H,4-11H2,1-3H3/t12-,13+,16+/m0/s1
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| InChIKey |
GQAIXMAVBMHIKL-WOSRLPQWSA-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