General Information of the Compound
| Compound ID |
CP0478982
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| Compound Name |
N-[(1S)-3-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C24H35N5O
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| Molecular Weight |
409.578
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| Canonical SMILES |
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1c(C)nnc1C
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| InChI |
InChI=1S/C24H35N5O/c1-17(28-14-12-22(13-15-28)29-18(2)26-27-19(29)3)16-23(20-8-5-4-6-9-20)25-24(30)21-10-7-11-21/h4-6,8-9,17,21-23H,7,10-16H2,1-3H3,(H,25,30)/t17?,23-/m0/s1
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| InChIKey |
ZHSPLCRKVQNOGM-VXLWULRPSA-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