General Information of the Compound
| Compound ID |
CP0503483
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| Compound Name |
N-[1-[(4S)-4-(cyclobutanecarbonylamino)-4-phenylbutan-2-yl]piperidin-4-yl]-N-ethyl-4-methoxybenzamide
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| Structure |
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| Formula |
C30H41N3O3
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| Molecular Weight |
491.676
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H41N3O3/c1-4-33(30(35)25-13-15-27(36-3)16-14-25)26-17-19-32(20-18-26)22(2)21-28(23-9-6-5-7-10-23)31-29(34)24-11-8-12-24/h5-7,9-10,13-16,22,24,26,28H,4,8,11-12,17-21H2,1-3H3,(H,31,34)/t22?,28-/m0/s1
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| InChIKey |
QSYUMABLKKWHMQ-WNWQKLGWSA-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