General Information of the Compound
| Compound ID |
CP0870738
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| Compound Name |
US9447148, 9.66
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| Structure |
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| Formula |
C48H67N13O9
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| Molecular Weight |
970.146
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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]2CCCN2C1=O
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| InChI |
InChI=1S/C48H67N13O9/c1-3-4-15-33(55-28(2)62)42(65)58-36-19-20-40(63)52-23-21-35(44(67)59-37(41(49)64)26-30-27-54-32-16-9-8-14-31(30)32)57-43(66)34(17-10-22-53-48(50)51)56-45(68)38(25-29-12-6-5-7-13-29)60-46(69)39-18-11-24-61(39)47(36)70/h5-9,12-14,16,27,33-39,54H,3-4,10-11,15,17-26H2,1-2H3,(H2,49,64)(H,52,63)(H,55,62)(H,56,68)(H,57,66)(H,58,65)(H,59,67)(H,60,69)(H4,50,51,53)/t33-,34-,35-,36-,37-,38+,39+/m0/s1
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| InChIKey |
JQDBJPQYLBLUNL-ZVFKCXBBSA-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