General Information of the Compound
| Compound ID |
CP0421021
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]pentanediamide
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| Structure |
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| Formula |
C31H48ClN9O6
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| Molecular Weight |
678.235
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| Canonical SMILES |
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
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| InChI |
InChI=1S/C31H48ClN9O6/c1-18(42)38-22(8-5-15-37-31(35)36)28(45)39-23(13-14-26(33)43)29(46)41-25(17-20-9-11-21(32)12-10-20)30(47)40-24(27(34)44)16-19-6-3-2-4-7-19/h9-12,19,22-25H,2-8,13-17H2,1H3,(H2,33,43)(H2,34,44)(H,38,42)(H,39,45)(H,40,47)(H,41,46)(H4,35,36,37)/t22-,23-,24-,25+/m0/s1
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| InChIKey |
SKAXSGOLYXWZMF-OJJQZRKESA-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