General Information of the Compound
| Compound ID |
CP0378182
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| Compound Name |
3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-(1-{[(thiophen-2-ylmethyl)-amino]-methyl}-cyclohexyl)-piperazin-1-yl]-ethyl}-propionamide
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| Structure |
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| Formula |
C28H39Cl2N5O2S
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| Molecular Weight |
580.626
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| Canonical SMILES |
NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1
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| InChI |
InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1
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| InChIKey |
XQPGJXQZZJHBDT-RUZDIDTESA-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
Protein ID: PT00911, Melanocyte-stimulating hormone receptor