General Information of the Compound
| Compound ID |
CP0459831
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| Compound Name |
N-[(1-benzoylpiperidin-4-yl)methyl]-5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C35H39ClN4O4
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| Molecular Weight |
615.174
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| Canonical SMILES |
Clc1ccc(C2CCN(CCN3C(=O)COc4ccccc34)CC2)c(c1)C(=O)NCC1CCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C35H39ClN4O4/c36-28-10-11-29(26-14-16-38(17-15-26)20-21-40-31-8-4-5-9-32(31)44-24-33(40)41)30(22-28)34(42)37-23-25-12-18-39(19-13-25)35(43)27-6-2-1-3-7-27/h1-11,22,25-26H,12-21,23-24H2,(H,37,42)
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| InChIKey |
OWZXHVOZRYMMLN-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