General Information of the Compound
| Compound ID |
CP0874273
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| Compound Name |
US9040663, 82
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| Structure |
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| Formula |
C49H70FN17O10
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| Molecular Weight |
1076.206
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| Canonical SMILES |
CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](CCC(N)=O)NC1=O
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| InChI |
InChI=1S/C49H70FN17O10/c1-26(68)61-33(15-8-20-58-48(53)54)42(72)67-38-24-40(70)57-19-7-6-14-32(41(52)71)62-45(75)37(23-28-25-60-31-13-5-3-11-29(28)31)66-43(73)34(16-9-21-59-49(55)56)63-46(76)36(22-27-10-2-4-12-30(27)50)65-44(74)35(64-47(38)77)17-18-39(51)69/h2-5,10-13,25,32-38,60H,6-9,14-24H2,1H3,(H2,51,69)(H2,52,71)(H,57,70)(H,61,68)(H,62,75)(H,63,76)(H,64,77)(H,65,74)(H,66,73)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33+,34-,35-,36+,37-,38-/m0/s1
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| InChIKey |
QECOLCQUUXFPQQ-VEEPYNQNSA-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