General Information of the Compound
| Compound ID |
CP0007266
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| Compound Name |
US9777008, Compound 222
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| Structure |
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| Formula |
C30H33N5O4
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| Molecular Weight |
527.625
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ncc2ccn(CC(=O)N3CCOCC3)c2n1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C30H33N5O4/c36-26(19-33-10-8-22-4-1-2-5-25(22)18-33)21-39-27-7-3-6-23(16-27)29-31-17-24-9-11-35(30(24)32-29)20-28(37)34-12-14-38-15-13-34/h1-7,9,11,16-17,26,36H,8,10,12-15,18-21H2
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| InChIKey |
OZDOMCSPERFISZ-UHFFFAOYSA-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