General Information of the Compound
| Compound ID |
CP0562204
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| Compound Name |
2-(oxetan-3-yl)-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 |
C22H30N2O
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| Molecular Weight |
338.495
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| Canonical SMILES |
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C1COC1
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| InChI |
InChI=1S/C22H30N2O/c1-2-17(8-16-6-4-3-5-7-16)20-9-21(20)23-18-10-22(11-18)14-24(15-22)19-12-25-13-19/h3-8,18-21,23H,2,9-15H2,1H3/b17-8+/t20-,21+/m0/s1
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| InChIKey |
QKLROSRUQBSAMC-NMGKINTBSA-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