General Information of the Compound
| Compound ID |
CP0427990
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| Compound Name |
(R)-3-Isobutoxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-yl ester
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| Structure |
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| Formula |
C20H32N2O4
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| Molecular Weight |
364.486
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| Canonical SMILES |
CC(C)COC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C20H32N2O4/c1-12(2)11-25-19(23)21-17-3-4-22(10-17)20(24)26-18-15-6-13-5-14(8-15)9-16(18)7-13/h12-18H,3-11H2,1-2H3,(H,21,23)/t13?,14?,15?,16?,17-,18?/m1/s1
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| InChIKey |
WWLXCBWZRWCQOW-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