General Information of the Compound
| Compound ID |
CP0866686
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| Compound Name |
US9040663, 52
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| Structure |
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| Formula |
C51H69N19O9
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| Molecular Weight |
1092.237
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| Canonical SMILES |
CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(C#N)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
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| InChI |
InChI=1S/C51H69N19O9/c1-28(71)64-36(9-5-19-60-50(54)55)44(74)66-37-10-4-18-59-42(72)17-16-35(43(53)73)65-48(78)40(22-31-25-62-34-8-3-2-7-33(31)34)69-45(75)38(11-6-20-61-51(56)57)67-47(77)39(21-29-12-14-30(24-52)15-13-29)68-49(79)41(70-46(37)76)23-32-26-58-27-63-32/h2-3,7-8,12-15,25-27,35-41,62H,4-6,9-11,16-23H2,1H3,(H2,53,73)(H,58,63)(H,59,72)(H,64,71)(H,65,78)(H,66,74)(H,67,77)(H,68,79)(H,69,75)(H,70,76)(H4,54,55,60)(H4,56,57,61)/t35-,36+,37-,38-,39+,40-,41-/m0/s1
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| InChIKey |
OBKWMOSDTIUARN-GSAPFWBWSA-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