General Information of the Compound
| Compound ID |
CP0506527
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| Compound Name |
(R)-3-(tert-Butoxycarbonyl-methyl-amino)-pyrrolidine-1-carboxylic acid adamantan-2-yl ester
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| Structure |
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| Formula |
C21H34N2O4
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| Molecular Weight |
378.513
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| Canonical SMILES |
CN([C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C21H34N2O4/c1-21(2,3)27-19(24)22(4)17-5-6-23(12-17)20(25)26-18-15-8-13-7-14(10-15)11-16(18)9-13/h13-18H,5-12H2,1-4H3/t13?,14?,15?,16?,17-,18?/m1/s1
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| InChIKey |
LDWNGJZCOABBTF-SVXFNXITSA-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