General Information of the Compound
| Compound ID |
CP0505324
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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]pentanediamide
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| Structure |
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| Formula |
C33H49N13O5
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| Molecular Weight |
707.841
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| Canonical SMILES |
NC(=O)CC[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/C33H49N13O5/c34-26(47)15-14-25(46-30(50)24(9-5-17-42-33(39)40)44-27(48)18-20-6-2-1-3-7-20)31(51)45-23(8-4-16-41-32(37)38)29(49)43-19-21-10-12-22(13-11-21)28(35)36/h1-3,6-7,10-13,23-25H,4-5,8-9,14-19H2,(H2,34,47)(H3,35,36)(H,43,49)(H,44,48)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t23-,24-,25-/m0/s1
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| InChIKey |
DXMOBRIXZRCJDH-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