General Information of the Compound
| Compound ID |
CP0451461
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| Compound Name |
US9428500, 17
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| Structure |
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| Formula |
C34H30N4
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| Molecular Weight |
494.642
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1
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| InChI |
InChI=1S/C34H30N4/c1-37-18-20-38(21-19-37)29-13-10-25(11-14-29)27-12-15-32-31(23-27)33-30(16-17-35-34(33)36-32)28-9-5-8-26(22-28)24-6-3-2-4-7-24/h2-17,22-23H,18-21H2,1H3,(H,35,36)
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| InChIKey |
QBWYFQCLCJZFBY-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