General Information of the Compound
| Compound ID |
CP0908214
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| Compound Name |
US9447148, 9.14
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| Structure |
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| Formula |
C40H51N13O7
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| Molecular Weight |
825.932
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| Canonical SMILES |
N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O
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| InChI |
InChI=1S/C40H51N13O7/c41-35(56)30(18-24-20-47-27-10-5-4-9-26(24)27)52-37(58)29-14-16-45-33(54)12-13-34(55)49-32(19-25-21-44-22-48-25)39(60)53-31(17-23-7-2-1-3-8-23)38(59)50-28(36(57)51-29)11-6-15-46-40(42)43/h1-5,7-10,20-22,28-32,47H,6,11-19H2,(H2,41,56)(H,44,48)(H,45,54)(H,49,55)(H,50,59)(H,51,57)(H,52,58)(H,53,60)(H4,42,43,46)/t28-,29-,30-,31+,32-/m0/s1
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| InChIKey |
RWGKKLXVIVGNQZ-NRQMHRBESA-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