General Information of the Compound
| Compound ID |
CP0408354
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| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C35H67N9O7
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| Molecular Weight |
725.977
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)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/C35H67N9O7/c1-5-23(4)29(33(48)42-27(35(50)51)21-22(2)3)43-31(46)25(14-7-10-18-37)40-32(47)28-16-12-20-44(28)34(49)26(15-8-11-19-38)41-30(45)24(39)13-6-9-17-36/h22-29H,5-21,36-39H2,1-4H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
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| InChIKey |
DERXRDGTOCBBQJ-BMGWUDNWSA-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