General Information of the Compound
| Compound ID |
CP0400445
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| Compound Name |
US8637501, 98
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| Structure |
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| Formula |
C26H31FN4O
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| Molecular Weight |
434.559
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| Canonical SMILES |
CN1CCc2c(CC1)c1ccc(cc1n2C)N1CCN(CCc2ccc(F)cc2)CC1=O
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| InChI |
InChI=1S/C26H31FN4O/c1-28-12-10-23-22-8-7-21(17-25(22)29(2)24(23)11-13-28)31-16-15-30(18-26(31)32)14-9-19-3-5-20(27)6-4-19/h3-8,17H,9-16,18H2,1-2H3
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| InChIKey |
FSMTXHUZZPSYSH-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