General Information of the Compound
| Compound ID |
CP0500013
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| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2-methyl-1,3-dihydroisoindol-1-yl)acetamide
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| Structure |
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| Formula |
C36H45ClFN5O2
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| Molecular Weight |
634.24
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| Canonical SMILES |
CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1N(C)Cc2ccccc12)c1ccccc1F
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| InChI |
InChI=1S/C36H45ClFN5O2/c1-4-41(5-2)25-34(30-12-8-9-13-31(30)38)42-18-20-43(21-19-42)36(45)32(22-26-14-16-28(37)17-15-26)39-35(44)23-33-29-11-7-6-10-27(29)24-40(33)3/h6-17,32-34H,4-5,18-25H2,1-3H3,(H,39,44)/t32-,33?,34?/m1/s1
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| InChIKey |
CXNCKVKDTNIURI-XQTVSKJUSA-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