General Information of the Compound
| Compound ID |
CP0041099
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| Compound Name |
propan-2-yl N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]carbamate
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| Structure |
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| Formula |
C30H36Cl2N4O3S
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| Molecular Weight |
603.616
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| Canonical SMILES |
CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
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| InChI |
InChI=1S/C30H36Cl2N4O3S/c1-21(2)39-30(38)34-27(18-22-9-10-24(31)19-26(22)32)29(37)36-15-13-35(14-16-36)28-8-4-3-6-23(28)20-33-12-11-25-7-5-17-40-25/h3-10,17,19,21,27,33H,11-16,18,20H2,1-2H3,(H,34,38)/t27-/m1/s1
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| InChIKey |
VOVCAFWIQXNUIB-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
Protein ID: PT01804, Melanocortin receptor 5