General Information of the Compound
| Compound ID |
CP0511732
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| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C34H62N8O9
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| Molecular Weight |
726.917
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C34H62N8O9/c1-5-21(4)28(32(48)40-25(34(50)51)19-20(2)3)41-30(46)23(14-15-27(43)44)38-31(47)26-13-10-18-42(26)33(49)24(12-7-9-17-36)39-29(45)22(37)11-6-8-16-35/h20-26,28H,5-19,35-37H2,1-4H3,(H,38,47)(H,39,45)(H,40,48)(H,41,46)(H,43,44)(H,50,51)/t21-,22-,23-,24-,25-,26-,28-/m0/s1
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| InChIKey |
WZVFEPAWFZZLNR-FNARAVPISA-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