General Information of the Compound
| Compound ID |
CP0908209
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| Compound Name |
US9447148, 9.17
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| Structure |
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| Formula |
C47H64N14O8
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| Molecular Weight |
953.119
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| Canonical SMILES |
CCCCCC(=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/C47H64N14O8/c1-2-3-5-16-40(63)56-34-17-18-39(62)52-21-19-35(44(67)59-36(41(48)64)23-29-25-54-32-14-9-8-13-31(29)32)58-42(65)33(15-10-20-53-47(49)50)57-45(68)37(22-28-11-6-4-7-12-28)60-46(69)38(61-43(34)66)24-30-26-51-27-55-30/h4,6-9,11-14,25-27,33-38,54H,2-3,5,10,15-24H2,1H3,(H2,48,64)(H,51,55)(H,52,62)(H,56,63)(H,57,68)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H4,49,50,53)/t33-,34-,35-,36-,37+,38-/m0/s1
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| InChIKey |
ZOFPYCCSYGWTCN-WRQFUQGOSA-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