General Information of the Compound
| Compound ID |
CP0457682
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| Compound Name |
4-cyclohexylbutyl N-[(2S,3S)-2-methyl-4-oxo-1-phenoxyazetidin-3-yl]carbamate
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| Structure |
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| Formula |
C21H30N2O4
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| Molecular Weight |
374.481
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| Canonical SMILES |
C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccccc1
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| InChI |
InChI=1S/C21H30N2O4/c1-16-19(20(24)23(16)27-18-13-6-3-7-14-18)22-21(25)26-15-9-8-12-17-10-4-2-5-11-17/h3,6-7,13-14,16-17,19H,2,4-5,8-12,15H2,1H3,(H,22,25)/t16-,19-/m0/s1
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| InChIKey |
KTKRIDYZLMZXDC-LPHOPBHVSA-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
Protein ID: PT04305, Acid ceramidase
Protein ID: PT02713, N-acylethanolamine-hydrolyzing acid amidase