General Information of the Compound
| Compound ID |
CP0526509
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| Compound Name |
(R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-cyano-adamantan-2-yl ester
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| Formula |
C21H31N3O4
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| Molecular Weight |
389.496
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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#N
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| InChI |
InChI=1S/C21H31N3O4/c1-20(2,3)28-18(25)23-16-4-5-24(11-16)19(26)27-17-14-6-13-7-15(17)10-21(8-13,9-14)12-22/h13-17H,4-11H2,1-3H3,(H,23,25)/t13?,14?,15?,16-,17-,21-/m1/s1
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| InChIKey |
CBTVRLOVCKXLPL-UUFXQWAESA-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