General Information of the Compound
| Compound ID |
CP0921410
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| Compound Name |
US8846601, 153
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| Structure |
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| Formula |
C46H62N14O8
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| Molecular Weight |
939.092
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| Canonical SMILES |
CCCCC(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
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| InChI |
InChI=1S/C46H62N14O8/c1-2-3-15-39(62)55-33-16-17-38(61)51-20-18-34(43(66)58-35(40(47)63)22-28-24-53-31-13-8-7-12-30(28)31)57-41(64)32(14-9-19-52-46(48)49)56-44(67)36(21-27-10-5-4-6-11-27)59-45(68)37(60-42(33)65)23-29-25-50-26-54-29/h4-8,10-13,24-26,32-37,53H,2-3,9,14-23H2,1H3,(H2,47,63)(H,50,54)(H,51,61)(H,55,62)(H,56,67)(H,57,64)(H,58,66)(H,59,68)(H,60,65)(H4,48,49,52)/t32-,33-,34-,35-,36+,37-/m0/s1
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| InChIKey |
JUOGFOXGQYCMTJ-BWBQVKFQSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor