General Information of the Compound
| Compound ID |
CP0570131
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| Compound Name |
(2S)-6-amino-N-[5-[[5-[[5-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentyl]amino]-5-oxopentyl]amino]-5-oxopentyl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoyl]amino]propanoyl]amino]hexanamide
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| Structure |
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| Formula |
C80H120N20O15
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| Molecular Weight |
1601.965
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C80H120N20O15/c1-48(2)40-62(72(82)108)99-77(113)63(41-49(3)4)97-71(107)47-92-73(109)50(5)93-74(110)51(6)94-76(112)61(25-19-39-88-80(83)84)95-70(106)46-91-68(104)28-13-17-37-86-66(102)26-12-16-36-85-67(103)27-14-18-38-87-75(111)60(24-11-15-35-81)98-78(114)64(42-52-29-32-55(101)33-30-52)100-79(115)65(43-54-45-90-59-23-10-8-21-57(54)59)96-69(105)34-31-53-44-89-58-22-9-7-20-56(53)58/h7-10,20-23,29-30,32-33,44-45,48-51,60-65,89-90,101H,11-19,24-28,31,34-43,46-47,81H2,1-6H3,(H2,82,108)(H,85,103)(H,86,102)(H,87,111)(H,91,104)(H,92,109)(H,93,110)(H,94,112)(H,95,106)(H,96,105)(H,97,107)(H,98,114)(H,99,113)(H,100,115)(H4,83,84,88)/t50-,51-,60-,61-,62-,63-,64-,65-/m0/s1
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| InChIKey |
VAJXCOOOHQEYIJ-DWUWLRCLSA-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