General Information of the Compound
| Compound ID |
CP0463956
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| Compound Name |
5-chloro-N-((1-(3,3-dimethylbutanoyl)piperidin-4-yl)methyl)-2-(1-(2-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)ethyl)piperidin-4-yl)benzamide
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| Structure |
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| Formula |
C34H45ClN4O4
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| Molecular Weight |
609.211
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| Canonical SMILES |
CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc34)CC2)CC1
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| InChI |
InChI=1S/C34H45ClN4O4/c1-34(2,3)21-31(40)38-16-10-24(11-17-38)22-36-33(42)28-20-26(35)8-9-27(28)25-12-14-37(15-13-25)18-19-39-29-6-4-5-7-30(29)43-23-32(39)41/h4-9,20,24-25H,10-19,21-23H2,1-3H3,(H,36,42)
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| InChIKey |
GGZLXDQZCPDNHC-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