General Information of the Compound
| Compound ID |
CP0533454
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| Compound Name |
(R)-3-Ethoxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-ylester
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| Structure |
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| Formula |
C18H28N2O4
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| Molecular Weight |
336.432
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| Canonical SMILES |
CCOC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C18H28N2O4/c1-2-23-17(21)19-15-3-4-20(10-15)18(22)24-16-13-6-11-5-12(8-13)9-14(16)7-11/h11-16H,2-10H2,1H3,(H,19,21)/t11?,12?,13?,14?,15-,16?/m1/s1
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| InChIKey |
GSVNAKUJQSGVAR-BAPHQMLMSA-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