General Information of the Compound
| Compound ID |
CP0416205
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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]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(diaminomethylideneamino)butanamide
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| Structure |
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| Formula |
C39H51N11O8
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| Molecular Weight |
801.906
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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](CCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C39H51N11O8/c40-21-32(52)45-22-33(53)46-29(19-25-12-6-2-7-13-25)36(56)50-31(23-51)38(58)49-30(20-26-14-8-3-9-15-26)37(57)47-27(16-17-44-39(42)43)35(55)48-28(34(41)54)18-24-10-4-1-5-11-24/h1-15,27-31,51H,16-23,40H2,(H2,41,54)(H,45,52)(H,46,53)(H,47,57)(H,48,55)(H,49,58)(H,50,56)(H4,42,43,44)/t27-,28-,29-,30-,31-/m0/s1
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| InChIKey |
CZHFKSXXQYUGED-QKUYTOGTSA-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