General Information of the Compound
| Compound ID |
CP0554223
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| Compound Name |
N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
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| Structure |
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| Formula |
C19H26N2
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| Molecular Weight |
282.431
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| Canonical SMILES |
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CNC2)C1
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| InChI |
InChI=1S/C19H26N2/c1-2-15(8-14-6-4-3-5-7-14)17-9-18(17)21-16-10-19(11-16)12-20-13-19/h3-8,16-18,20-21H,2,9-13H2,1H3/b15-8+/t17-,18+/m0/s1
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| InChIKey |
RIXOHZNIAOVPOH-OCRUZJPSSA-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