General Information of the Compound
| Compound ID |
CP0947426
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| Compound Name |
(rac-trans-2-phenylcyclopropyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C19H26N2O
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| Molecular Weight |
298.43
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| Canonical SMILES |
O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCCC2)CC1
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| InChI |
InChI=1S/C19H26N2O/c22-19(18-14-17(18)15-6-2-1-3-7-15)21-12-8-16(9-13-21)20-10-4-5-11-20/h1-3,6-7,16-18H,4-5,8-14H2/t17-,18+/m1/s1
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| InChIKey |
CPWDSSPEDHQXPJ-MSOLQXFVSA-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