General Information of the Compound
| Compound ID |
CP0526508
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| Compound Name |
(R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-acetylamino-adamantan-2-yl ester
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| Formula |
C22H35N3O5
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| Molecular Weight |
421.538
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| Canonical SMILES |
CC(=O)N[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)NC(=O)OC(C)(C)C)C(C3)C2
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| InChI |
InChI=1S/C22H35N3O5/c1-13(26)24-22-9-14-7-15(10-22)18(16(8-14)11-22)29-20(28)25-6-5-17(12-25)23-19(27)30-21(2,3)4/h14-18H,5-12H2,1-4H3,(H,23,27)(H,24,26)/t14?,15?,16?,17-,18-,22-/m1/s1
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| InChIKey |
KQHQICQDJAXTIW-WIOLGDMUSA-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