General Information of the Compound
| Compound ID |
CP0873886
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| Compound Name |
(S)-N1-(9-amino-4-(2,2-diphenylacetamido)-3,11-dioxo-1-(4-(ureidomethyl)phenyl)-2,8,10,12-tetraazatetradec-9-en-14-yl)-N4-(2-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)ethyl)succinamide bis(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C47H66F3N11O11
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| Molecular Weight |
1018.105
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| Canonical SMILES |
NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C45H65N11O9.C2HF3O2/c46-20-8-25-63-27-29-65-30-28-64-26-24-50-39(58)19-18-38(57)49-22-23-52-45(62)56-43(47)51-21-7-13-37(41(59)53-31-33-14-16-34(17-15-33)32-54-44(48)61)55-42(60)40(35-9-3-1-4-10-35)36-11-5-2-6-12-36;3-2(4,5)1(6)7/h1-6,9-12,14-17,37,40H,7-8,13,18-32,46H2,(H,49,57)(H,50,58)(H,53,59)(H,55,60)(H3,48,54,61)(H4,47,51,52,56,62);(H,6,7)/t37-;/m0./s1
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| InChIKey |
DOLVYXIAWXUFAZ-JFRIYMKVSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01611, Neuropeptide Y receptor type 2
Protein ID: PT01909, Neuropeptide Y receptor type 4
Protein ID: PT01795, Neuropeptide Y receptor type 5