General Information of the Compound
| Compound ID |
CP0500009
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| Compound Name |
tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate
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| Structure |
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C26H33N3O2/c1-25(2,3)31-24(30)28-23-14-17-29(18-15-23)19-16-26(20-27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,14-19H2,1-3H3,(H,28,30)
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| InChIKey |
MNFMVSWNFQWLMQ-UHFFFAOYSA-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