General Information of the Compound
| Compound ID |
CP0466907
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| Compound Name |
methyl 4-[[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]amino]-4-oxobutanoate
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| Structure |
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| Formula |
C31H36Cl2N4O4S
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| Molecular Weight |
631.626
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| Canonical SMILES |
COC(=O)CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
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| InChI |
InChI=1S/C31H36Cl2N4O4S/c1-41-30(39)11-10-29(38)35-27(19-22-8-9-24(32)20-26(22)33)31(40)37-16-14-36(15-17-37)28-7-3-2-5-23(28)21-34-13-12-25-6-4-18-42-25/h2-9,18,20,27,34H,10-17,19,21H2,1H3,(H,35,38)/t27-/m1/s1
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| InChIKey |
VRGPMQNQBPODPZ-HHHXNRCGSA-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