General Information of the Compound
| Compound ID |
CP0416313
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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-[(N'-methylcarbamimidoyl)amino]butanamide
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| Structure |
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| Formula |
C40H53N11O8
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| Molecular Weight |
815.933
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| Canonical SMILES |
CNC(=N)NCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C40H53N11O8/c1-44-40(43)45-18-17-28(36(56)49-29(35(42)55)19-25-11-5-2-6-12-25)48-38(58)31(21-27-15-9-4-10-16-27)50-39(59)32(24-52)51-37(57)30(20-26-13-7-3-8-14-26)47-34(54)23-46-33(53)22-41/h2-16,28-32,52H,17-24,41H2,1H3,(H2,42,55)(H,46,53)(H,47,54)(H,48,58)(H,49,56)(H,50,59)(H,51,57)(H3,43,44,45)/t28-,29-,30-,31-,32-/m0/s1
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| InChIKey |
FKAYGBPBGUBGOT-XDIGFQIYSA-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