General Information of the Compound
| Compound ID |
CP0515715
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| Compound Name |
(+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C28H43N5O
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| Molecular Weight |
465.686
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C28H43N5O/c1-20(2)27-31-30-22(4)33(27)25-15-17-32(18-16-25)21(3)19-26(23-11-7-5-8-12-23)29-28(34)24-13-9-6-10-14-24/h5,7-8,11-12,20-21,24-26H,6,9-10,13-19H2,1-4H3,(H,29,34)/t21?,26-/m0/s1
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| InChIKey |
QKLFGMIJZHWNQN-UQTORGHUSA-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