General Information of the Compound
| Compound ID |
CP0908211
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| Compound Name |
US9447148, 9.8
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| Structure |
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| Formula |
C49H67N15O9
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| Molecular Weight |
1010.171
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=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/C49H67N15O9/c1-3-4-14-34(58-28(2)65)43(68)60-36-17-18-41(66)54-21-19-37(46(71)62-38(42(50)67)23-30-25-56-33-15-9-8-13-32(30)33)61-44(69)35(16-10-20-55-49(51)52)59-47(72)39(22-29-11-6-5-7-12-29)63-48(73)40(64-45(36)70)24-31-26-53-27-57-31/h5-9,11-13,15,25-27,34-40,56H,3-4,10,14,16-24H2,1-2H3,(H2,50,67)(H,53,57)(H,54,66)(H,58,65)(H,59,72)(H,60,68)(H,61,69)(H,62,71)(H,63,73)(H,64,70)(H4,51,52,55)/t34-,35-,36-,37-,38-,39-,40-/m0/s1
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| InChIKey |
IJVUOKFOZUYPMK-OAKHNGAUSA-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