General Information of the Compound
| Compound ID |
CP0554000
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| Compound Name |
US10118902, Example 17
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| Structure |
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| Formula |
C30H38FN5O2
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| Molecular Weight |
519.665
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)CCN1CCOCC1)C1(F)CC1
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| InChI |
InChI=1S/C30H38FN5O2/c1-34(15-16-35-17-19-38-20-18-35)23-7-8-26-25(21-23)28(33-29(32-26)30(31)11-12-30)36-13-9-22(10-14-36)24-5-3-4-6-27(24)37-2/h3-8,21-22H,9-20H2,1-2H3
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| InChIKey |
SMLGPJJVMONVQI-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