General Information of the Compound
| Compound ID |
CP0499658
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| Compound Name |
US9428500, 16
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| Structure |
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| Formula |
C35H32N4
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| Molecular Weight |
508.669
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
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| InChI |
InChI=1S/C35H32N4/c1-38-19-21-39(22-20-38)30-14-11-27(12-15-30)29-13-16-33-32(24-29)34-31(17-18-36-35(34)37-33)28-9-7-26(8-10-28)23-25-5-3-2-4-6-25/h2-18,24H,19-23H2,1H3,(H,36,37)
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| InChIKey |
YKEWZLQRXXVJJD-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