General Information of the Compound
| Compound ID |
CP0517435
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| Compound Name |
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
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| Structure |
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| Formula |
C17H22N2O
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| Molecular Weight |
270.376
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| Canonical SMILES |
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CCNC(=O)C1
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| InChI |
InChI=1S/C17H22N2O/c1-12(9-13-5-3-2-4-6-13)15-11-16(15)19-14-7-8-18-17(20)10-14/h2-6,9,14-16,19H,7-8,10-11H2,1H3,(H,18,20)/b12-9+/t14?,15-,16+/m0/s1
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| InChIKey |
DYCSAVIFWHCIDK-SSUZPHGLSA-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