General Information of the Compound
| Compound ID |
CP0438964
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| Compound Name |
CHEMBL2086762
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| Formula |
C10H17BN2O12P2
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| Molecular Weight |
430.008
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| Canonical SMILES |
B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(O)=O
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| InChI |
InChI=1S/C10H17BN2O12P2/c1-22-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)3-23-26(11,18)25-27(19,20)21/h2,5-7,9,14-15H,3,11H2,1H3,(H,12,16,17)(H2,19,20,21)/t5-,6-,7-,9-,26+/m1/s1
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| InChIKey |
OTUUJYMWHSXGMZ-ZXRUYLDDSA-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