General Information of the Compound
| Compound ID |
CP0375110
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
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| Structure |
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| Formula |
C34H53N15O4
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| Molecular Weight |
735.899
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| Canonical SMILES |
NC(N)=NCCC[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/C34H53N15O4/c35-28(36)23-14-12-22(13-15-23)20-46-29(51)24(9-4-16-43-32(37)38)48-31(53)26(11-6-18-45-34(41)42)49-30(52)25(10-5-17-44-33(39)40)47-27(50)19-21-7-2-1-3-8-21/h1-3,7-8,12-15,24-26H,4-6,9-11,16-20H2,(H3,35,36)(H,46,51)(H,47,50)(H,48,53)(H,49,52)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t24-,25-,26-/m0/s1
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| InChIKey |
UICWDGHQYZVYGW-GSDHBNRESA-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