General Information of the Compound
| Compound ID |
CP0550659
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| Compound Name |
US10278962, Compound 21
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| Structure |
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| Formula |
C27H31NO10
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| Molecular Weight |
529.542
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| Canonical SMILES |
CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]2C1)-c1cccnc1
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| InChI |
InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26+,27-/m1/s1
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| InChIKey |
NIGGKHQHUNJNPM-YBEFSANESA-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
Protein ID: PT01327, Sterol O-acyltransferase 1
Protein ID: PT02407, Sterol O-acyltransferase 2