General Information of the Compound
| Compound ID |
CP0279198
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| Compound Name |
1-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-3-(2-hydroxy-ethyl)-urea
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| Structure |
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| Formula |
C29H35Cl2N5O3S
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| Molecular Weight |
604.604
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| Canonical SMILES |
OCCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
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| InChI |
InChI=1S/C29H35Cl2N5O3S/c30-23-8-7-21(25(31)19-23)18-26(34-29(39)33-11-16-37)28(38)36-14-12-35(13-15-36)27-6-2-1-4-22(27)20-32-10-9-24-5-3-17-40-24/h1-8,17,19,26,32,37H,9-16,18,20H2,(H2,33,34,39)/t26-/m1/s1
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| InChIKey |
YITJJGWDWIIORX-AREMUKBSSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5