General Information of the Compound
| Compound ID |
CP0533456
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| Compound Name |
(R)-3-Benzyloxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-yl ester
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| Structure |
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| Formula |
C23H30N2O4
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| Molecular Weight |
398.503
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| Canonical SMILES |
O=C(N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3)OCc1ccccc1
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| InChI |
InChI=1S/C23H30N2O4/c26-22(28-14-15-4-2-1-3-5-15)24-20-6-7-25(13-20)23(27)29-21-18-9-16-8-17(11-18)12-19(21)10-16/h1-5,16-21H,6-14H2,(H,24,26)/t16?,17?,18?,19?,20-,21?/m1/s1
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| InChIKey |
WEZTYTQJCPPQNR-XIWZRWORSA-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