General Information of the Compound
| Compound ID |
CP0521746
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| Compound Name |
(2S)-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]-4-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)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/c1-27(2)21-33(53-41(60)34(23-29-15-8-4-9-16-29)50-37(56)26-49-36(55)25-44)40(59)54-35(24-30-17-10-5-11-18-30)42(61)51-31(19-12-20-48-43(46)47)39(58)52-32(38(45)57)22-28-13-6-3-7-14-28/h3-11,13-18,27,31-35H,12,19-26,44H2,1-2H3,(H2,45,57)(H,49,55)(H,50,56)(H,51,61)(H,52,58)(H,53,60)(H,54,59)(H4,46,47,48)/t31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
IWEGVYCMWNRHRJ-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