General Information of the Compound
| Compound ID |
CP0474426
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| Compound Name |
benzyl 4-[[[5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C36H41ClN4O5
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| Molecular Weight |
645.2
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| Canonical SMILES |
Clc1ccc(C2CCN(CCN3C(=O)COc4ccccc34)CC2)c(c1)C(=O)NCC1CCN(CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C36H41ClN4O5/c37-29-10-11-30(28-14-16-39(17-15-28)20-21-41-32-8-4-5-9-33(32)45-25-34(41)42)31(22-29)35(43)38-23-26-12-18-40(19-13-26)36(44)46-24-27-6-2-1-3-7-27/h1-11,22,26,28H,12-21,23-25H2,(H,38,43)
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| InChIKey |
OPEGMUOHWDCNGL-UHFFFAOYSA-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
Protein ID: PT03174, Urotensin-2 receptor
Protein ID: PT02463, Urotensin-2 receptor