General Information of the Compound
| Compound ID |
CP0575950
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| Compound Name |
US8629158, 29
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| Structure |
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| Formula |
C27H25FN4O3
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| Molecular Weight |
472.52
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| Canonical SMILES |
CC(=O)N1C2CCC1c1c(C2)n(C)c2cc(ccc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C27H25FN4O3/c1-16(33)32-20-6-8-23(32)27-22-7-5-19(11-24(22)30(2)25(27)12-20)31-10-9-21(13-26(31)34)35-15-18-4-3-17(28)14-29-18/h3-5,7,9-11,13-14,20,23H,6,8,12,15H2,1-2H3
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| InChIKey |
VMFGTMNOAVARSY-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