General Information of the Compound
| Compound ID |
CP0547382
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methylbutanamide
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| Structure |
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| Formula |
C36H44N8O5S
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| Molecular Weight |
700.866
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C36H44N8O5S/c1-21(2)30(34(49)41-27(12-8-18-40-36(38)39)31(46)35-43-26-11-6-7-13-29(26)50-35)44-33(48)28(20-22-9-4-3-5-10-22)42-32(47)25(37)19-23-14-16-24(45)17-15-23/h3-7,9-11,13-17,21,25,27-28,30,45H,8,12,18-20,37H2,1-2H3,(H,41,49)(H,42,47)(H,44,48)(H4,38,39,40)/t25-,27-,28-,30-/m0/s1
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| InChIKey |
UXAHAEGNRHJIJI-RLAGABBFSA-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