General Information of the Compound
| Compound ID |
CP0535384
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| Compound Name |
(S)-N2-(1-benzylpiperidin-4-yl)-N1-(4-tert-butylphenyl)pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C28H38N4O2
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| Molecular Weight |
462.638
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C28H38N4O2/c1-28(2,3)22-11-13-23(14-12-22)30-27(34)32-17-7-10-25(32)26(33)29-24-15-18-31(19-16-24)20-21-8-5-4-6-9-21/h4-6,8-9,11-14,24-25H,7,10,15-20H2,1-3H3,(H,29,33)(H,30,34)/t25-/m0/s1
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| InChIKey |
VKSZJKBNEQQXSO-VWLOTQADSA-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