General Information of the Compound
| Compound ID |
CP0474800
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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)-4-methylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C27H43N7O
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| Molecular Weight |
481.689
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)N1CCN(C)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H43N7O/c1-20(2)26-30-29-22(4)34(26)24-11-13-32(14-12-24)21(3)19-25(23-9-7-6-8-10-23)28-27(35)33-17-15-31(5)16-18-33/h6-10,20-21,24-25H,11-19H2,1-5H3,(H,28,35)/t21?,25-/m0/s1
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| InChIKey |
HJYNPOYFJFVNCP-QBGQUKIHSA-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