General Information of the Compound
| Compound ID |
CP0122475
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| Compound Name |
methyl (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-prop-2-enylamino]propanoyl]amino]pentanoyl]amino]butanoate
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| Structure |
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| Formula |
C38H60N6O9
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| Molecular Weight |
744.931
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](C)N(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
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| InChI |
InChI=1S/C38H60N6O9/c1-13-20-44(26(8)33(47)43-30(23(5)14-2)34(48)42-29(22(3)4)36(50)52-12)35(49)28(21-27-18-16-15-17-19-27)41-32(46)24(6)39-31(45)25(7)40-37(51)53-38(9,10)11/h13,15-19,22-26,28-30H,1,14,20-21H2,2-12H3,(H,39,45)(H,40,51)(H,41,46)(H,42,48)(H,43,47)/t23-,24-,25-,26-,28-,29-,30-/m0/s1
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| InChIKey |
LFVZUINPQSQBFQ-YEQQBGSTSA-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