General Information of the Compound
| Compound ID |
CP0221542
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| Compound Name |
(2S,5R)-5-ethynyl-1-[N-(3-hydroxy-1-adamantyl)glycyl]pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C19H25N3O2
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| Molecular Weight |
327.428
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| Canonical SMILES |
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C
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| InChI |
InChI=1S/C19H25N3O2/c1-2-15-3-4-16(10-20)22(15)17(23)11-21-18-6-13-5-14(7-18)9-19(24,8-13)12-18/h1,13-16,21,24H,3-9,11-12H2/t13?,14?,15-,16-,18?,19?/m0/s1
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| InChIKey |
FLEJLFCEMOMGJU-JMHWRACVSA-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