General Information of the Compound
| Compound ID |
CP0457404
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| Compound Name |
(4S)-5-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-[[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C33H48N12O6
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| Molecular Weight |
708.825
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C33H48N12O6/c34-28(35)22-12-10-21(11-13-22)19-42-29(49)23(8-4-16-40-32(36)37)44-31(51)25(14-15-27(47)48)45-30(50)24(9-5-17-41-33(38)39)43-26(46)18-20-6-2-1-3-7-20/h1-3,6-7,10-13,23-25H,4-5,8-9,14-19H2,(H3,34,35)(H,42,49)(H,43,46)(H,44,51)(H,45,50)(H,47,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-/m0/s1
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| InChIKey |
SYBYGCGBMWRWGF-SDHOMARFSA-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