General Information of the Compound
| Compound ID |
CP0870725
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| Compound Name |
US9447148, 9.15
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| Structure |
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| Formula |
C45H60N14O8
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| Molecular Weight |
925.065
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| Canonical SMILES |
CCCC(=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/C45H60N14O8/c1-2-9-38(61)54-32-15-16-37(60)50-19-17-33(42(65)57-34(39(46)62)21-27-23-52-30-13-7-6-12-29(27)30)56-40(63)31(14-8-18-51-45(47)48)55-43(66)35(20-26-10-4-3-5-11-26)58-44(67)36(59-41(32)64)22-28-24-49-25-53-28/h3-7,10-13,23-25,31-36,52H,2,8-9,14-22H2,1H3,(H2,46,62)(H,49,53)(H,50,60)(H,54,61)(H,55,66)(H,56,63)(H,57,65)(H,58,67)(H,59,64)(H4,47,48,51)/t31-,32-,33-,34-,35+,36-/m0/s1
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| InChIKey |
JJRDXXQLVRWOCP-QLBHTZGESA-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