General Information of the Compound
| Compound ID |
CP0436566
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C42H57N11O7
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| Molecular Weight |
827.988
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| Canonical SMILES |
CC(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/C42H57N11O7/c1-26(2)36(53-40(59)32(22-28-15-8-4-9-16-28)49-35(55)25-48-34(54)24-43)41(60)52-33(23-29-17-10-5-11-18-29)39(58)50-30(19-12-20-47-42(45)46)38(57)51-31(37(44)56)21-27-13-6-3-7-14-27/h3-11,13-18,26,30-33,36H,12,19-25,43H2,1-2H3,(H2,44,56)(H,48,54)(H,49,55)(H,50,58)(H,51,57)(H,52,60)(H,53,59)(H4,45,46,47)/t30-,31-,32-,33-,36-/m0/s1
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| InChIKey |
NSFNRPYGMJRCFL-XOSLRORVSA-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