General Information of the Compound
| Compound ID |
CP0451504
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| Compound Name |
(2R)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-iodophenyl)propanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H41IN8O5
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| Molecular Weight |
684.58
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| Canonical SMILES |
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O
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| InChI |
InChI=1S/C27H41IN8O5/c1-15(2)22(33-16(3)37)25(40)34-19(6-4-12-32-27(30)31)24(39)35-20(14-17-8-10-18(28)11-9-17)26(41)36-13-5-7-21(36)23(29)38/h8-11,15,19-22H,4-7,12-14H2,1-3H3,(H2,29,38)(H,33,37)(H,34,40)(H,35,39)(H4,30,31,32)/t19-,20+,21+,22-/m0/s1
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| InChIKey |
BBMXUZDQYHSAJB-CBPXPLCBSA-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