General Information of the Compound
| Compound ID |
CP0567967
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| Compound Name |
[(1R)-1-[[(2S)-2-[(2,5-dichlorobenzoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C25H27BCl2N2O4
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| Molecular Weight |
501.219
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc(Cl)ccc1Cl)B(O)O
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| InChI |
InChI=1S/C25H27BCl2N2O4/c1-15(2)11-23(26(33)34)30-25(32)22(29-24(31)20-14-19(27)9-10-21(20)28)13-16-7-8-17-5-3-4-6-18(17)12-16/h3-10,12,14-15,22-23,33-34H,11,13H2,1-2H3,(H,29,31)(H,30,32)/t22-,23-/m0/s1
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| InChIKey |
HEIULCYHGQJJBH-GOTSBHOMSA-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