General Information of the Compound
| Compound ID |
CP0845542
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| Compound Name |
(S)-3-(1'-Adamantanylmethanecarbonyl)amino-caprolactam
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| Structure |
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| Formula |
C18H28N2O2
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| Molecular Weight |
304.434
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| Canonical SMILES |
O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O
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| InChI |
InChI=1S/C18H28N2O2/c21-16(20-15-3-1-2-4-19-17(15)22)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H,19,22)(H,20,21)/t12?,13?,14?,15-,18?/m0/s1
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| InChIKey |
KFAALOQUGLRPEW-URZJAHPPSA-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