General Information of the Compound
| Compound ID |
CP0440173
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-[[amino(azetidin-1-yl)methylidene]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]pentanamide
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| Structure |
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| Formula |
C43H57N11O8
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| Molecular Weight |
855.998
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| Canonical SMILES |
NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N1CCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C43H57N11O8/c44-25-36(56)48-26-37(57)49-33(23-29-14-6-2-7-15-29)40(60)53-35(27-55)42(62)52-34(24-30-16-8-3-9-17-30)41(61)50-31(18-10-19-47-43(46)54-20-11-21-54)39(59)51-32(38(45)58)22-28-12-4-1-5-13-28/h1-9,12-17,31-35,55H,10-11,18-27,44H2,(H2,45,58)(H2,46,47)(H,48,56)(H,49,57)(H,50,61)(H,51,59)(H,52,62)(H,53,60)/t31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
YGCUNPUGGWOAFR-ZZTWKDBPSA-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