General Information of the Compound
| Compound ID |
CP0503482
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| Compound Name |
N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C26H39N5O
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| Molecular Weight |
437.632
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1
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| InChI |
InChI=1S/C26H39N5O/c1-18(2)25-29-28-20(4)31(25)23-13-15-30(16-14-23)19(3)17-24(21-9-6-5-7-10-21)27-26(32)22-11-8-12-22/h5-7,9-10,18-19,22-24H,8,11-17H2,1-4H3,(H,27,32)/t19?,24-/m0/s1
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| InChIKey |
PISDDJAHCRTSLZ-WIIYFNMSSA-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