General Information of the Compound
| Compound ID |
CP0421019
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C31H49ClN8O5
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| Molecular Weight |
649.237
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| Canonical SMILES |
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
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| InChI |
InChI=1S/C31H49ClN8O5/c1-18(2)26(37-19(3)41)30(45)38-23(10-7-15-36-31(34)35)28(43)40-25(17-21-11-13-22(32)14-12-21)29(44)39-24(27(33)42)16-20-8-5-4-6-9-20/h11-14,18,20,23-26H,4-10,15-17H2,1-3H3,(H2,33,42)(H,37,41)(H,38,45)(H,39,44)(H,40,43)(H4,34,35,36)/t23-,24-,25+,26-/m0/s1
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| InChIKey |
ITUSFZMNBKWORA-SSUZURRFSA-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