General Information of the Compound
| Compound ID |
CP0448705
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| Compound Name |
3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-[4-(1-{[2-(3-methoxy-phenyl)-acetylamino]-methyl}-cyclohexyl)-piperazin-1-yl]-2-oxo-ethyl}-propionamide
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| Structure |
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| Formula |
C32H43Cl2N5O4
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| Molecular Weight |
632.633
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| Canonical SMILES |
COc1cccc(CC(=O)NCC2(CCCCC2)N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)c1
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| InChI |
InChI=1S/C32H43Cl2N5O4/c1-43-26-7-5-6-23(18-26)19-30(41)36-22-32(11-3-2-4-12-32)39-16-14-38(15-17-39)31(42)28(37-29(40)10-13-35)20-24-8-9-25(33)21-27(24)34/h5-9,18,21,28H,2-4,10-17,19-20,22,35H2,1H3,(H,36,41)(H,37,40)/t28-/m1/s1
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| InChIKey |
VTYFXSGVWVZOFL-MUUNZHRXSA-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