General Information of the Compound
| Compound ID |
CP0423728
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| Compound Name |
(R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)pyrrolidin-3-yl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C29H37N3O2
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| Molecular Weight |
459.634
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1
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| InChI |
InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1
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| InChIKey |
JMJZSLIIHVSDBK-AREMUKBSSA-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
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2