General Information of the Compound
| Compound ID |
CP0309657
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| Compound Name |
CHEMBL3786149
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| Formula |
C27H33FN6O3
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| Molecular Weight |
508.598
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| Canonical SMILES |
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@H]3CCCO3)ccc2F)c2c(N)ncnc12
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| InChI |
InChI=1S/C27H33FN6O3/c1-17(35)32-6-8-33(9-7-32)18-11-19(12-18)34-14-23(25-26(29)30-16-31-27(25)34)22-13-20(4-5-24(22)28)37-15-21-3-2-10-36-21/h4-5,13-14,16,18-19,21H,2-3,6-12,15H2,1H3,(H2,29,30,31)/t18-,19+,21-/m1/s1
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| InChIKey |
YXLQJZQRBVGUCM-SVFBPWRDSA-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