General Information of the Compound
| Compound ID |
CP0957736
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| Compound Name |
US9187424, 308
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| Structure |
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| Formula |
C29H29F4N5O2
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| Molecular Weight |
555.576
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| Canonical SMILES |
CCCCCCC#Cc1ccc(C2(C(F)(F)F)CC(c3ccc(OCC)cc3)=C(c3nn[nH]n3)C(=O)N2)cc1F
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| InChI |
InChI=1S/C29H29F4N5O2/c1-3-5-6-7-8-9-10-20-11-14-21(17-24(20)30)28(29(31,32)33)18-23(19-12-15-22(16-13-19)40-4-2)25(27(39)34-28)26-35-37-38-36-26/h11-17H,3-8,18H2,1-2H3,(H,34,39)(H,35,36,37,38)
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| InChIKey |
BMBMUTMRYCCDCU-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