General Information of the Compound
| Compound ID |
CP0464812
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| Compound Name |
(2S)-2-[[(2S,3S)-2-[[5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C34H65N9O7
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| Molecular Weight |
711.95
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)C(CCCN)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/C34H65N9O7/c1-5-22(4)28(32(47)41-26(34(49)50)20-21(2)3)42-30(45)24(14-10-18-37)39-31(46)27-15-11-19-43(27)33(48)25(13-7-9-17-36)40-29(44)23(38)12-6-8-16-35/h21-28H,5-20,35-38H2,1-4H3,(H,39,46)(H,40,44)(H,41,47)(H,42,45)(H,49,50)/t22-,23-,24?,25-,26-,27-,28-/m0/s1
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| InChIKey |
LZWWLMPAJOADTQ-RHIRRUEXSA-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