General Information of the Compound
| Compound ID |
CP0517434
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| Compound Name |
2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol
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| Structure |
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| Formula |
C20H30N2O
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| Molecular Weight |
314.473
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| Canonical SMILES |
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CCN(CCO)CC1
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| InChI |
InChI=1S/C20H30N2O/c1-2-17(14-16-6-4-3-5-7-16)19-15-20(19)21-18-8-10-22(11-9-18)12-13-23/h3-7,14,18-21,23H,2,8-13,15H2,1H3/b17-14+/t19-,20+/m0/s1
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| InChIKey |
WMGGSTWZOXPKQC-KSRMRMEDSA-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