General Information of the Compound
| Compound ID |
CP0571391
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| Compound Name |
US10294246, Compound No. 18
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| Structure |
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| Formula |
C16H16BN3O4
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| Molecular Weight |
325.133
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| Canonical SMILES |
OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1cnccn1
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| InChI |
InChI=1S/C16H16BN3O4/c21-16(8-12-9-18-5-6-19-12)20-15(17(22)23)7-11-10-24-14-4-2-1-3-13(11)14/h1-6,9-10,15,22-23H,7-8H2,(H,20,21)/t15-/m0/s1
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| InChIKey |
CDFIDSVYHTYZIG-HNNXBMFYSA-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