General Information of the Compound
| Compound ID |
CP0557279
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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]-2-[[[(2S)-2-(benzylamino)-3-phenylpropanoyl]amino]carbamoylamino]-4-methylpentanamide
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| Structure |
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| Formula |
C41H55N11O5
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| Molecular Weight |
781.963
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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)NCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C41H55N11O5/c1-26(2)21-35(50-41(57)52-51-39(56)34(22-27-13-6-4-7-14-27)46-24-28-15-8-5-9-16-28)38(55)48-32(19-12-20-45-40(43)44-3)37(54)49-33(36(42)53)23-29-25-47-31-18-11-10-17-30(29)31/h4-11,13-18,25-26,32-35,46-47H,12,19-24H2,1-3H3,(H2,42,53)(H,48,55)(H,49,54)(H,51,56)(H3,43,44,45)(H2,50,52,57)/t32-,33-,34-,35-/m0/s1
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| InChIKey |
QRYODSLAGFEGKW-BBACVFHCSA-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