General Information of the Compound
| Compound ID |
CP0873885
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| Compound Name |
(S)-N1-{9-Amino-4-diphenylacetylamino-3,11,16,19-tetraoxo-1-[4-(ureidomethyl)phenyl]-2,8,10,12,15,20-hexaazadocos-9-en-22-yl}-N4-[2-(3-aminopropionylamino)ethyl]succinamide bis(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C49H67F3N14O11
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| Molecular Weight |
1085.156
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| Canonical SMILES |
NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=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/C47H66N14O9.C2HF3O2/c48-22-21-41(66)55-27-26-53-39(64)18-17-37(62)51-24-25-52-38(63)19-20-40(65)54-28-29-57-47(70)61-45(49)56-23-7-12-36(43(67)58-30-32-13-15-33(16-14-32)31-59-46(50)69)60-44(68)42(34-8-3-1-4-9-34)35-10-5-2-6-11-35;3-2(4,5)1(6)7/h1-6,8-11,13-16,36,42H,7,12,17-31,48H2,(H,51,62)(H,52,63)(H,53,64)(H,54,65)(H,55,66)(H,58,67)(H,60,68)(H3,50,59,69)(H4,49,56,57,61,70);(H,6,7)/t36-;/m0./s1
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| InChIKey |
RYLWAKKPBHUCLE-KGLWNCEWSA-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