General Information of the Compound
| Compound ID |
CP0499655
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| Compound Name |
US9428500, 25
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| Structure |
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| Formula |
C36H32N4
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| Molecular Weight |
520.68
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(=C\c4ccccc4)c4ccccc4)c3c2c1
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| InChI |
InChI=1S/C36H32N4/c1-39-20-22-40(23-21-39)30-15-12-27(13-16-30)29-14-17-34-33(25-29)35-31(18-19-37-36(35)38-34)32(28-10-6-3-7-11-28)24-26-8-4-2-5-9-26/h2-19,24-25H,20-23H2,1H3,(H,37,38)/b32-24+
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| InChIKey |
RAPSVNVTMVKKFJ-FEZSWGLMSA-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