General Information of the Compound
| Compound ID |
CP0501870
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C20H38N8O5
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| Molecular Weight |
470.575
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C20H38N8O5/c1-12(16(29)27-14(19(32)33)7-4-10-25-20(23)24)26-17(30)15-8-5-11-28(15)18(31)13(22)6-2-3-9-21/h12-15H,2-11,21-22H2,1H3,(H,26,30)(H,27,29)(H,32,33)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1
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| InChIKey |
SYMOYSCFZYAWFM-AJNGGQMLSA-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