General Information of the Compound
| Compound ID |
CP0503484
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| Compound Name |
N-[1-[(4S)-4-(cyclobutanecarbonylamino)-4-phenylbutan-2-yl]piperidin-4-yl]-N-ethylbenzamide
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| Structure |
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| Formula |
C29H39N3O2
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| Molecular Weight |
461.65
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C29H39N3O2/c1-3-32(29(34)25-13-8-5-9-14-25)26-17-19-31(20-18-26)22(2)21-27(23-11-6-4-7-12-23)30-28(33)24-15-10-16-24/h4-9,11-14,22,24,26-27H,3,10,15-21H2,1-2H3,(H,30,33)/t22?,27-/m0/s1
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| InChIKey |
SJAHKAVMZZYMHY-ZUILJJEPSA-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