General Information of the Compound
| Compound ID |
CP0182290
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| Compound Name |
methyl (2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-prop-2-enylamino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
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| Structure |
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| Formula |
C40H63N7O11
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| Molecular Weight |
817.982
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)CN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
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| InChI |
InChI=1S/C40H63N7O11/c1-12-19-47(21-30(49)45-32(24(5)13-2)36(53)46-31(23(3)4)38(55)57-11)37(54)28(20-27-17-15-14-16-18-27)43-34(51)26(7)41-33(50)25(6)42-35(52)29(22-48)44-39(56)58-40(8,9)10/h12,14-18,23-26,28-29,31-32,48H,1,13,19-22H2,2-11H3,(H,41,50)(H,42,52)(H,43,51)(H,44,56)(H,45,49)(H,46,53)/t24-,25-,26-,28-,29-,31-,32-/m0/s1
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| InChIKey |
VYSUHCUEVVGUJZ-QFIMJPKJSA-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