General Information of the Compound
| Compound ID |
CP0377862
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| Compound Name |
2-((R)-4-methyl-3-oxo-1-tosylpiperazin-2-yl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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| Structure |
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| Formula |
C30H40N4O4S
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| Molecular Weight |
552.741
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| Canonical SMILES |
CN1CCN([C@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)C1=O)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C30H40N4O4S/c1-22-9-12-25(13-10-22)39(37,38)34-18-17-32(2)30(36)28(34)20-29(35)31-27-8-6-7-24-19-23(11-14-26(24)27)21-33-15-4-3-5-16-33/h9-14,19,27-28H,3-8,15-18,20-21H2,1-2H3,(H,31,35)/t27-,28-/m1/s1
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| InChIKey |
YUCYSNBRNZOMJX-VSGBNLITSA-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