General Information of the Compound
| Compound ID |
CP0477052
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]-4-methyl-2-[[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]carbamoylamino]pentanamide
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| Structure |
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| Formula |
C37H53N11O6
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| Molecular Weight |
747.902
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| Canonical SMILES |
CCC(=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](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C37H53N11O6/c1-5-31(49)43-30(19-23-12-7-6-8-13-23)35(53)47-48-37(54)46-29(18-22(2)3)34(52)44-27(16-11-17-41-36(39)40-4)33(51)45-28(32(38)50)20-24-21-42-26-15-10-9-14-25(24)26/h6-10,12-15,21-22,27-30,42H,5,11,16-20H2,1-4H3,(H2,38,50)(H,43,49)(H,44,52)(H,45,51)(H,47,53)(H3,39,40,41)(H2,46,48,54)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
YLUMSGKVTQPGTI-KRCBVYEFSA-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