General Information of the Compound
| Compound ID |
CP0382089
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| Compound Name |
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-3-trimethylsilylpropanoic acid
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| Structure |
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| Formula |
C38H68N8O8Si2
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| Molecular Weight |
821.182
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| Canonical SMILES |
C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O
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| InChI |
InChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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| InChIKey |
GHSASOSXURNENS-JNRWAQIZSA-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: PT02429, Neurotensin receptor type 1
Protein ID: PT02626, Neurotensin receptor type 2