General Information of the Compound
| Compound ID |
CP0544759
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| Compound Name |
US8618299, 36
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| Structure |
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| Formula |
C27H25F3N4O
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| Molecular Weight |
478.518
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| Canonical SMILES |
Cn1c2CC3CCCCN3Cc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C27H25F3N4O/c1-32-23-14-20(6-7-21(23)22-16-33-10-3-2-4-19(33)13-24(22)32)34-11-9-17(12-26(34)35)18-5-8-25(31-15-18)27(28,29)30/h5-9,11-12,14-15,19H,2-4,10,13,16H2,1H3
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| InChIKey |
DRDIQPOEMCMWIN-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