General Information of the Compound
| Compound ID |
CP0431533
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| Compound Name |
N-[(1S)-3-[4-[ethyl-[2-(2-methoxyphenyl)acetyl]amino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C31H43N3O3
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| Molecular Weight |
505.703
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccccc1OC
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| InChI |
InChI=1S/C31H43N3O3/c1-4-34(30(35)22-26-13-8-9-16-29(26)37-3)27-17-19-33(20-18-27)23(2)21-28(24-11-6-5-7-12-24)32-31(36)25-14-10-15-25/h5-9,11-13,16,23,25,27-28H,4,10,14-15,17-22H2,1-3H3,(H,32,36)/t23?,28-/m0/s1
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| InChIKey |
XJCBQLAEMHNXSC-WOKNPCPGSA-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