General Information of the Compound
| Compound ID |
CP0116955
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| Compound Name |
(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Synonyms |
CHEMBL1091089
H-KPPR-OH
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| Structure |
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| Formula |
C22H40N8O5
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| Molecular Weight |
496.613
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| Canonical SMILES |
NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C22H40N8O5/c23-10-2-1-6-14(24)19(32)30-13-5-9-17(30)20(33)29-12-4-8-16(29)18(31)28-15(21(34)35)7-3-11-27-22(25)26/h14-17H,1-13,23-24H2,(H,28,31)(H,34,35)(H4,25,26,27)/t14-,15-,16-,17-/m0/s1
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| InChIKey |
CKFCCXJQYNXYHI-QAETUUGQSA-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
Clinical Information about the Compound