General Information of the Compound
| Compound ID |
CP0425389
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| Compound Name |
(2S,5R)-5-ethynyl-1-(N-trans(4-hydroxycyclohexyl)glycyl)pyrrolidine-2-carbonitrile
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| Formula |
C15H21N3O2
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| Molecular Weight |
275.352
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C
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| InChI |
InChI=1S/C15H21N3O2/c1-2-12-5-6-13(9-16)18(12)15(20)10-17-11-3-7-14(19)8-4-11/h1,11-14,17,19H,3-8,10H2/t11-,12-,13-,14-/m0/s1
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| InChIKey |
OVZZYIUYFGUOSR-XUXIUFHCSA-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