General Information of the Compound
| Compound ID |
CP0423417
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| Compound Name |
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-iodophenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-(4-iodophenyl)propanoyl]amino]-6-aminohexanamide
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| Formula |
C39H44I2N6O5
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| Molecular Weight |
930.626
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C39H44I2N6O5/c1-24(48)44-33(21-25-10-15-30(40)16-11-25)37(50)47-35(23-27-9-14-28-6-2-3-7-29(28)20-27)39(52)46-34(22-26-12-17-31(41)18-13-26)38(51)45-32(36(43)49)8-4-5-19-42/h2-3,6-7,9-18,20,32-35H,4-5,8,19,21-23,42H2,1H3,(H2,43,49)(H,44,48)(H,45,51)(H,46,52)(H,47,50)/t32-,33-,34-,35-/m1/s1
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| InChIKey |
QLEAZXNEYDHBJE-BAQBVXSRSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor