General Information of the Compound
| Compound ID |
CP0557278
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| Compound Name |
N-[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-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]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C39H52N12O6
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| Molecular Weight |
784.923
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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)c1ccc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C39H52N12O6/c1-23(2)19-31(49-39(57)51-50-37(56)32(20-24-11-5-4-6-12-24)48-34(53)28-15-9-17-43-28)36(55)46-29(16-10-18-44-38(41)42-3)35(54)47-30(33(40)52)21-25-22-45-27-14-8-7-13-26(25)27/h4-9,11-15,17,22-23,29-32,43,45H,10,16,18-21H2,1-3H3,(H2,40,52)(H,46,55)(H,47,54)(H,48,53)(H,50,56)(H3,41,42,44)(H2,49,51,57)/t29-,30-,31-,32-/m0/s1
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| InChIKey |
RWHYHDHMBFGLOP-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