General Information of the Compound
| Compound ID |
CP0527229
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| Compound Name |
(R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-(1-hydroxy-1-methyl-ethyl)-adamantan-2-yl ester
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| Formula |
C23H38N2O5
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| Molecular Weight |
422.566
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(C)(C)O
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| InChI |
InChI=1S/C23H38N2O5/c1-21(2,3)30-19(26)24-17-6-7-25(13-17)20(27)29-18-15-8-14-9-16(18)12-23(10-14,11-15)22(4,5)28/h14-18,28H,6-13H2,1-5H3,(H,24,26)/t14?,15?,16?,17-,18-,23-/m1/s1
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| InChIKey |
ZCQXBBVNHQBPQI-BRSYGMCKSA-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