General Information of the Compound
| Compound ID |
CP0870717
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| Compound Name |
US9447148, 9.25
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| Structure |
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| Formula |
C41H62N14O9
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| Molecular Weight |
895.036
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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](C)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/C41H62N14O9/c1-4-5-12-27(50-24(3)56)36(60)52-29-14-15-33(57)46-18-16-30(35(59)49-23(2)34(42)58)53-37(61)28(13-9-17-47-41(43)44)51-39(63)31(19-25-10-7-6-8-11-25)54-40(64)32(55-38(29)62)20-26-21-45-22-48-26/h6-8,10-11,21-23,27-32H,4-5,9,12-20H2,1-3H3,(H2,42,58)(H,45,48)(H,46,57)(H,49,59)(H,50,56)(H,51,63)(H,52,60)(H,53,61)(H,54,64)(H,55,62)(H4,43,44,47)/t23-,27-,28-,29-,30-,31+,32-/m0/s1
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| InChIKey |
OPKOWPIJJAPYJZ-ZYELEKFWSA-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