General Information of the Compound
| Compound ID |
CP0512635
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| Compound Name |
benzyl N-[(5S)-6-[[(2S)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-5-[(2-phenylacetyl)amino]hexyl]carbamate
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| Structure |
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| Formula |
C41H56N10O6
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| Molecular Weight |
784.963
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)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/C41H56N10O6/c1-27(2)35(39(55)50-32(17-11-23-46-40(44)45)37(53)48-25-29-18-20-31(21-19-29)36(42)43)51-38(54)33(49-34(52)24-28-12-5-3-6-13-28)16-9-10-22-47-41(56)57-26-30-14-7-4-8-15-30/h3-8,12-15,18-21,27,32-33,35H,9-11,16-17,22-26H2,1-2H3,(H3,42,43)(H,47,56)(H,48,53)(H,49,52)(H,50,55)(H,51,54)(H4,44,45,46)/t32-,33-,35-/m0/s1
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| InChIKey |
CYBHHZKAFLKHFE-BVPJJHLOSA-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