General Information of the Compound
| Compound ID |
CP0564531
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| Compound Name |
US10294246, Compound No. 105
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| Structure |
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| Formula |
C19H19BN2O4
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| Molecular Weight |
350.183
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| Canonical SMILES |
OB(O)[C@H](C[C@@H]1COc2ccccc12)NC(=O)Cc1ccccc1C#N
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| InChI |
InChI=1S/C19H19BN2O4/c21-11-14-6-2-1-5-13(14)10-19(23)22-18(20(24)25)9-15-12-26-17-8-4-3-7-16(15)17/h1-8,15,18,24-25H,9-10,12H2,(H,22,23)/t15-,18+/m1/s1
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| InChIKey |
KWRFMDRJZZNMLU-QAPCUYQASA-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