General Information of the Compound
| Compound ID |
CP0533851
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| Compound Name |
N-[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
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| Structure |
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| Formula |
C39H52N10O6
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| Molecular Weight |
756.909
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| Canonical SMILES |
CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C39H52N10O6/c1-25(2)22-31(47-39(55)49-48-37(54)32(24-27-16-9-5-10-17-27)46-34(51)28-18-11-6-12-19-28)36(53)44-29(20-13-21-43-38(41)42-3)35(52)45-30(33(40)50)23-26-14-7-4-8-15-26/h4-12,14-19,25,29-32H,13,20-24H2,1-3H3,(H2,40,50)(H,44,53)(H,45,52)(H,46,51)(H,48,54)(H3,41,42,43)(H2,47,49,55)/t29-,30-,31-,32-/m0/s1
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| InChIKey |
ZSLCICIBHQVJMP-YDPTYEFTSA-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