General Information of the Compound
| Compound ID |
CP0534797
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| Compound Name |
(2S)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]amino]butanediamide
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| Structure |
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| Formula |
C32H47N13O5
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| Molecular Weight |
693.814
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| Canonical SMILES |
NC(=O)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C32H47N13O5/c33-25(46)17-24(45-29(49)23(9-5-15-41-32(38)39)43-26(47)16-19-6-2-1-3-7-19)30(50)44-22(8-4-14-40-31(36)37)28(48)42-18-20-10-12-21(13-11-20)27(34)35/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2,(H2,33,46)(H3,34,35)(H,42,48)(H,43,47)(H,44,50)(H,45,49)(H4,36,37,40)(H4,38,39,41)/t22-,23-,24-/m0/s1
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| InChIKey |
WAZIGGVXUVUOOW-HJOGWXRNSA-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