General Information of the Compound
| Compound ID |
CP0373690
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| Compound Name |
1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trifluoromethylphenyl]piperazin-1-yl}-1-(2,4-dichlorobenzyl)-2-oxoethyl]-piperazin-2-one
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| Structure |
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| Formula |
C29H36Cl2F3N5O2
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| Molecular Weight |
614.54
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F
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| InChI |
InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1
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| InChIKey |
KZZQDCIGVAXNMN-AZGAKELHSA-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