General Information of the Compound
| Compound ID |
CP0298526
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| Compound Name |
3-{2-[1-[1-[1-acetyl-(5S)-dihydro-1H-5-pyrrolylcarboxamido]-2-phenyl-(1R)-ethylcarboxamido]-4-amino(imino)methylamino-(1S)-butylcarboxamido]-2-carbamoylethyl}-1H-indole
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| Structure |
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| Formula |
C33H43N9O5
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| Molecular Weight |
645.765
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| Canonical SMILES |
CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)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/C33H43N9O5/c1-20(43)42-16-8-14-28(42)32(47)41-27(17-21-9-3-2-4-10-21)31(46)39-25(13-7-15-37-33(35)36)30(45)40-26(29(34)44)18-22-19-38-24-12-6-5-11-23(22)24/h2-6,9-12,19,25-28,38H,7-8,13-18H2,1H3,(H2,34,44)(H,39,46)(H,40,45)(H,41,47)(H4,35,36,37)/t25-,26-,27+,28-/m0/s1
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| InChIKey |
NSISWBCOSAKMBT-BPXGVECKSA-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