General Information of the Compound
| Compound ID |
CP0327233
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| Compound Name |
US10118902, Example 122
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| Structure |
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| Formula |
C28H36N4O
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| Molecular Weight |
444.623
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| Canonical SMILES |
CCCN(C)c1cc2c(nc(nc2cc1C)C1CC1)N1CCC(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C28H36N4O/c1-5-14-31(3)25-18-23-24(17-19(25)2)29-27(21-10-11-21)30-28(23)32-15-12-20(13-16-32)22-8-6-7-9-26(22)33-4/h6-9,17-18,20-21H,5,10-16H2,1-4H3
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| InChIKey |
KSHXVUSDZMOQHM-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