General Information of the Compound
| Compound ID |
CP0845547
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| Compound Name |
(S)-3-(1'-Adamantanecarbonyl)amino-caprolactam
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| Synonyms |
(S)-3-(1'-Adamantanecarbonyl)amino-caprolactam
SCHEMBL195373
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| Structure |
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| Formula |
C17H26N2O2
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| Molecular Weight |
290.407
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| Canonical SMILES |
O=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C17H26N2O2/c20-15-14(3-1-2-4-18-15)19-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H,18,20)(H,19,21)/t11?,12?,13?,14-,17?/m0/s1
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| InChIKey |
FRJOFURBYVCNEN-ZZTKBFGJSA-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
Clinical Information about the Compound