General Information of the Compound
| Compound ID |
CP0859185
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| Compound Name |
US9040663, 57
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| Structure |
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| Formula |
C50H69FN18O9
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| Molecular Weight |
1085.217
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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(F)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
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| InChI |
InChI=1S/C50H69FN18O9/c1-27(70)63-35(9-5-19-59-49(53)54)43(73)65-36-10-4-18-58-41(71)17-16-34(42(52)72)64-47(77)39(22-29-24-61-33-8-3-2-7-32(29)33)68-44(74)37(11-6-20-60-50(55)56)66-46(76)38(21-28-12-14-30(51)15-13-28)67-48(78)40(69-45(36)75)23-31-25-57-26-62-31/h2-3,7-8,12-15,24-26,34-40,61H,4-6,9-11,16-23H2,1H3,(H2,52,72)(H,57,62)(H,58,71)(H,63,70)(H,64,77)(H,65,73)(H,66,76)(H,67,78)(H,68,74)(H,69,75)(H4,53,54,59)(H4,55,56,60)/t34-,35+,36-,37-,38+,39-,40-/m0/s1
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| InChIKey |
UCFQPBRLCMKTJY-BTFCHKKZSA-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