General Information of the Compound
| Compound ID |
CP0430024
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| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C32H40ClN5O2S
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| Molecular Weight |
594.225
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)C2CCCNC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
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| InChI |
InChI=1S/C32H40ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-2,4-5,7-12,20,26,29,34-35H,3,6,13-19,21-23H2,(H,36,39)/t26?,29-/m1/s1
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| InChIKey |
VWCDOUQYWQELEV-BNGNXUGRSA-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