General Information of the Compound
| Compound ID |
CP0473905
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| Compound Name |
US10278962, Compound 13
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| Structure |
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| Formula |
C37H29N3O9
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| Molecular Weight |
659.651
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| Canonical SMILES |
CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1
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| InChI |
InChI=1S/C37H29N3O9/c1-36(45,20-46-33(42)23-9-5-21(17-38)6-10-23)26-14-27-32(41)31-29(16-28(47-35(31)44)25-4-3-13-40-19-25)49-37(27,2)30(15-26)48-34(43)24-11-7-22(18-39)8-12-24/h3-13,16,19,26-27,30,45H,14-15,20H2,1-2H3/t26-,27-,30-,36?,37-/m0/s1
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| InChIKey |
WEOCJMZXRUXKAV-NSZDKMDOSA-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