General Information of the Compound
| Compound ID |
CP0438591
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]-2-[[[(2S)-2-(hexanoylamino)-3-phenylpropanoyl]amino]carbamoylamino]-4-methylpentanamide
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| Structure |
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| Formula |
C38H58N10O6
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| Molecular Weight |
750.946
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| Canonical SMILES |
CCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C38H58N10O6/c1-5-6-9-20-32(49)43-31(24-27-17-12-8-13-18-27)36(53)47-48-38(54)46-30(22-25(2)3)35(52)44-28(19-14-21-42-37(40)41-4)34(51)45-29(33(39)50)23-26-15-10-7-11-16-26/h7-8,10-13,15-18,25,28-31H,5-6,9,14,19-24H2,1-4H3,(H2,39,50)(H,43,49)(H,44,52)(H,45,51)(H,47,53)(H3,40,41,42)(H2,46,48,54)/t28-,29-,30-,31-/m0/s1
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| InChIKey |
MELMLAHGMHGBKE-ORYMTKCHSA-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