General Information of the Compound
| Compound ID |
CP0480895
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| Compound Name |
US9428500, 49
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| Structure |
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| Formula |
C33H28FN5
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| Molecular Weight |
513.62
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(nc4)-c4ccc(F)cc4)c3c2c1
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| InChI |
InChI=1S/C33H28FN5/c1-38-16-18-39(19-17-38)27-10-4-22(5-11-27)24-6-13-31-29(20-24)32-28(14-15-35-33(32)37-31)25-7-12-30(36-21-25)23-2-8-26(34)9-3-23/h2-15,20-21H,16-19H2,1H3,(H,35,37)
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| InChIKey |
MOVOSFIEKBZYDH-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