General Information of the Compound
| Compound ID |
CP0470015
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| Compound Name |
1-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanone
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| Structure |
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| Formula |
C21H28N2O
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| Molecular Weight |
324.468
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| Canonical SMILES |
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C(C)=O
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| InChI |
InChI=1S/C21H28N2O/c1-3-17(9-16-7-5-4-6-8-16)19-10-20(19)22-18-11-21(12-18)13-23(14-21)15(2)24/h4-9,18-20,22H,3,10-14H2,1-2H3/b17-9+/t19-,20+/m0/s1
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| InChIKey |
VEBYKOHUNKYAFN-BGBRNYFRSA-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