General Information of the Compound
| Compound ID |
CP0457399
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
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| Structure |
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| Formula |
C37H50N12O4
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| Molecular Weight |
726.887
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C37H50N12O4/c38-32(39)27-17-15-26(16-18-27)23-46-33(51)28(13-7-19-44-36(40)41)48-35(53)30(21-24-9-3-1-4-10-24)49-34(52)29(14-8-20-45-37(42)43)47-31(50)22-25-11-5-2-6-12-25/h1-6,9-12,15-18,28-30H,7-8,13-14,19-23H2,(H3,38,39)(H,46,51)(H,47,50)(H,48,53)(H,49,52)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30-/m0/s1
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| InChIKey |
BVSMFNGCIRSIFB-DTXPUJKBSA-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