General Information of the Compound
| Compound ID |
CP0522010
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| Compound Name |
(2R,4S,5S)-4-hydroxy-5-[[(2S)-2-[[(2S,3S)-2-hydroxy-3-methylpentanoyl]amino]propanoyl]amino]-2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]-6-phenylhexanamide
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| Structure |
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| Formula |
C33H49N5O6
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| Molecular Weight |
611.784
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| Canonical SMILES |
CC[C@H](C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C33H49N5O6/c1-7-21(4)29(40)33(44)36-23(6)31(42)37-26(18-24-11-9-8-10-12-24)27(39)17-22(5)30(41)38-28(20(2)3)32(43)35-19-25-13-15-34-16-14-25/h8-16,20-23,26-29,39-40H,7,17-19H2,1-6H3,(H,35,43)(H,36,44)(H,37,42)(H,38,41)/t21-,22+,23-,26-,27-,28-,29-/m0/s1
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| InChIKey |
FWFRTAYTQFNKDM-GNCUPBPHSA-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