General Information of the Compound
| Compound ID |
CP0402065
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| Compound Name |
(S)-2-((R)-2-(2-(2-acetamido-N-benzylacetamido)acetamido)-3-phenylpropanamido)-N-((S)-1-(2-amino-2-oxoethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-5-guanidinopentanamide
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| Structure |
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| Formula |
C41H51N11O7
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| Molecular Weight |
809.929
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| Canonical SMILES |
CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1
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| InChI |
InChI=1S/C41H51N11O7/c1-26(53)46-23-37(56)52(24-28-13-6-3-7-14-28)25-36(55)49-33(19-27-11-4-2-5-12-27)40(59)50-32(17-10-18-45-41(43)44)39(58)51-34(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H4,43,44,45)/t32-,33+,34-/m0/s1
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| InChIKey |
YBYMKNFNNNSTAX-GMTSZFNJSA-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