General Information of the Compound
| Compound ID |
CP0397221
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| Compound Name |
(S)-2-{(S)-2-[2-(Acetyl-benzyl-amino)-acetylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C37H45N9O5
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| Molecular Weight |
695.825
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| Canonical SMILES |
CC(=O)N(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1
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| InChI |
InChI=1S/C37H45N9O5/c1-24(47)46(22-26-13-6-3-7-14-26)23-33(48)43-32(19-25-11-4-2-5-12-25)36(51)44-30(17-10-18-41-37(39)40)35(50)45-31(34(38)49)20-27-21-42-29-16-9-8-15-28(27)29/h2-9,11-16,21,30-32,42H,10,17-20,22-23H2,1H3,(H2,38,49)(H,43,48)(H,44,51)(H,45,50)(H4,39,40,41)/t30-,31-,32-/m0/s1
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| InChIKey |
CSOVRHGSAPSVOO-CPCREDONSA-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: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor