General Information of the Compound
| Compound ID |
CP0055355
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide
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| Structure |
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| Formula |
C18H25N3O3
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| Molecular Weight |
331.416
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| Canonical SMILES |
OC12CC3CC(C1)CC(C3)(C2)C(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C18H25N3O3/c19-9-14-2-1-3-21(14)15(22)10-20-16(23)17-5-12-4-13(6-17)8-18(24,7-12)11-17/h12-14,24H,1-8,10-11H2,(H,20,23)/t12?,13?,14-,17?,18?/m0/s1
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| InChIKey |
UWBZSVXHRVYSEZ-JPVBRBBMSA-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