General Information of the Compound
| Compound ID |
CP0929640
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| Compound Name |
US9447148, 9.43
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| Structure |
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| Formula |
C51H70N16O10
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| Molecular Weight |
1067.223
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=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/C51H70N16O10/c1-3-4-14-35(61-29(2)68)45(72)67-41-27-59-43(70)18-17-42(69)56-21-19-37(47(74)64-38(44(52)71)23-31-25-58-34-15-9-8-13-33(31)34)63-46(73)36(16-10-20-57-51(53)54)62-48(75)39(22-30-11-6-5-7-12-30)65-49(76)40(66-50(41)77)24-32-26-55-28-60-32/h5-9,11-13,15,25-26,28,35-41,58H,3-4,10,14,16-24,27H2,1-2H3,(H2,52,71)(H,55,60)(H,56,69)(H,59,70)(H,61,68)(H,62,75)(H,63,73)(H,64,74)(H,65,76)(H,66,77)(H,67,72)(H4,53,54,57)/t35-,36-,37-,38-,39+,40-,41-/m0/s1
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| InChIKey |
YZJAIULMUUQAPH-RZOXKKKKSA-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