General Information of the Compound
| Compound ID |
CP0216651
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| Compound Name |
US9303015, 29
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| Structure |
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| Formula |
C31H28ClF3N4O2
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| Molecular Weight |
581.038
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| Canonical SMILES |
CCN(CC)c1nc2ccc(cc2c(c1Oc1ccccc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H28ClF3N4O2/c1-4-39(5-2)29-28(41-23-9-7-6-8-10-23)27(31(33,34)35)24-17-21(13-16-25(24)37-29)30(40,26-18-36-19-38(26)3)20-11-14-22(32)15-12-20/h6-19,40H,4-5H2,1-3H3
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| InChIKey |
ZDNAKVBXOLTMMW-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