General Information of the Compound
| Compound ID |
CP0546600
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| Compound Name |
[(1R)-1-[[(2S,3R)-2-[(2,5-dichlorobenzoyl)amino]-3-methylpentanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C18H27BCl2N2O4
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| Molecular Weight |
417.142
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| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B(O)O
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| InChI |
InChI=1S/C18H27BCl2N2O4/c1-5-11(4)16(18(25)22-15(19(26)27)8-10(2)3)23-17(24)13-9-12(20)6-7-14(13)21/h6-7,9-11,15-16,26-27H,5,8H2,1-4H3,(H,22,25)(H,23,24)/t11-,15+,16+/m1/s1
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| InChIKey |
HADODNIAGURARL-RLCCDNCMSA-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