General Information of the Compound
| Compound ID |
CP0571494
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| Compound Name |
US9206173, 2443
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| Structure |
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| Formula |
C27H26F3N5O2
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| Molecular Weight |
509.532
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| Canonical SMILES |
CN(Nc1nc2CCN(Cc2c(=O)n1CCC#C)C(=O)c1ccc(C)cc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H26F3N5O2/c1-4-5-15-35-25(37)22-17-34(24(36)19-8-6-18(2)7-9-19)16-14-23(22)31-26(35)32-33(3)21-12-10-20(11-13-21)27(28,29)30/h1,6-13H,5,14-17H2,2-3H3,(H,31,32)
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| InChIKey |
GXRZGJQHZBJQMB-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