General Information of the Compound
| Compound ID |
CP0468839
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| Compound Name |
(2S)-N-[(4-carbamimidoylphenyl)methyl]-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]pentanoyl]amino]pentanamide
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| Structure |
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| Formula |
C33H50N12O4
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| Molecular Weight |
678.843
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| Canonical SMILES |
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C33H50N12O4/c1-20(2)27(45-26(46)18-21-8-4-3-5-9-21)31(49)44-25(11-7-17-41-33(38)39)30(48)43-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,48)(H,44,49)(H,45,46)(H4,36,37,40)(H4,38,39,41)/t24-,25+,27-/m0/s1
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| InChIKey |
WFTWIALTOUOLBM-WEWMWRJBSA-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