General Information of the Compound
| Compound ID |
CP0423941
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| Compound Name |
US9447148, 9.65
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| Structure |
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| Formula |
C37H57N11O8
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| Molecular Weight |
783.932
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
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| InChI |
InChI=1S/C37H57N11O8/c1-3-4-12-25(43-22(2)49)32(52)46-27-15-16-30(50)41-19-17-24(31(38)51)44-33(53)26(13-8-18-42-37(39)40)45-34(54)28(21-23-10-6-5-7-11-23)47-35(55)29-14-9-20-48(29)36(27)56/h5-7,10-11,24-29H,3-4,8-9,12-21H2,1-2H3,(H2,38,51)(H,41,50)(H,43,49)(H,44,53)(H,45,54)(H,46,52)(H,47,55)(H4,39,40,42)/t24-,25-,26-,27-,28+,29-/m0/s1
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| InChIKey |
PQZLQBCRDGKQFC-JLRZMDASSA-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