General Information of the Compound
| Compound ID |
CP0482254
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C30H43N11O5
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| Molecular Weight |
637.746
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C30H43N11O5/c1-16(2)25(41-28(45)24(38-17(3)42)12-19-14-34-15-37-19)29(46)39-22(9-6-10-35-30(32)33)27(44)40-23(26(31)43)11-18-13-36-21-8-5-4-7-20(18)21/h4-5,7-8,13-16,22-25,36H,6,9-12H2,1-3H3,(H2,31,43)(H,34,37)(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,32,33,35)/t22-,23-,24-,25-/m0/s1
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| InChIKey |
YNOSPCCUIVJJDQ-QORCZRPOSA-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