General Information of the Compound
| Compound ID |
CP0489960
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| Compound Name |
N,N'-bis[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]octanediamide
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| Structure |
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| Formula |
C74H108N18O16
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| Molecular Weight |
1505.788
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C74H108N18O16/c1-41(2)35-57(71(107)87-53(13-11-33-81-73(77)78)67(103)89-55(63(75)99)37-45-17-25-49(93)26-18-45)91-65(101)43(5)83-69(105)59(39-47-21-29-51(95)30-22-47)85-61(97)15-9-7-8-10-16-62(98)86-60(40-48-23-31-52(96)32-24-48)70(106)84-44(6)66(102)92-58(36-42(3)4)72(108)88-54(14-12-34-82-74(79)80)68(104)90-56(64(76)100)38-46-19-27-50(94)28-20-46/h17-32,41-44,53-60,93-96H,7-16,33-40H2,1-6H3,(H2,75,99)(H2,76,100)(H,83,105)(H,84,106)(H,85,97)(H,86,98)(H,87,107)(H,88,108)(H,89,103)(H,90,104)(H,91,101)(H,92,102)(H4,77,78,81)(H4,79,80,82)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
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| InChIKey |
GHLFIGVGFVELAS-CWANVFDFSA-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