General Information of the Compound
| Compound ID |
CP0578237
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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-[3-(1H-indol-3-yl)propanoylamino]-3-phenylpropanoyl]amino]carbamoylamino]-4-methylpentanamide
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| Structure |
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| Formula |
C43H57N11O6
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| Molecular Weight |
824
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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)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C43H57N11O6/c1-27(2)23-35(40(58)50-33(19-12-22-47-42(45)46-3)39(57)51-34(38(44)56)24-28-13-6-4-7-14-28)52-43(60)54-53-41(59)36(25-29-15-8-5-9-16-29)49-37(55)21-20-30-26-48-32-18-11-10-17-31(30)32/h4-11,13-18,26-27,33-36,48H,12,19-25H2,1-3H3,(H2,44,56)(H,49,55)(H,50,58)(H,51,57)(H,53,59)(H3,45,46,47)(H2,52,54,60)/t33-,34-,35-,36-/m0/s1
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| InChIKey |
BODSIUKERBJJHY-ZYADHFCISA-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