General Information of the Compound
| Compound ID |
CP0427049
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| Compound Name |
(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C35H43N9O4
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| Molecular Weight |
653.788
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| Canonical SMILES |
N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C35H43N9O4/c36-26(18-22-10-3-1-4-11-22)32(46)44-30(19-23-12-5-2-6-13-23)34(48)42-28(16-9-17-40-35(38)39)33(47)43-29(31(37)45)20-24-21-41-27-15-8-7-14-25(24)27/h1-8,10-15,21,26,28-30,41H,9,16-20,36H2,(H2,37,45)(H,42,48)(H,43,47)(H,44,46)(H4,38,39,40)/t26-,28-,29-,30+/m0/s1
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| InChIKey |
NYOUWNQJCVZGBR-ZVVXMFRTSA-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