General Information of the Compound
| Compound ID |
CP0503420
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| Compound Name |
(2S,3R)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide
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| Structure |
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| Formula |
C43H59N11O7
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| Molecular Weight |
842.015
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| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C43H59N11O7/c1-3-27(2)37(54-41(60)33(23-29-16-9-5-10-17-29)50-36(56)26-49-35(55)25-44)42(61)53-34(24-30-18-11-6-12-19-30)40(59)51-31(20-13-21-48-43(46)47)39(58)52-32(38(45)57)22-28-14-7-4-8-15-28/h4-12,14-19,27,31-34,37H,3,13,20-26,44H2,1-2H3,(H2,45,57)(H,49,55)(H,50,56)(H,51,59)(H,52,58)(H,53,61)(H,54,60)(H4,46,47,48)/t27-,31+,32+,33+,34+,37+/m1/s1
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| InChIKey |
GDRXVOHKHQJQLQ-BRBDGUISSA-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