General Information of the Compound
| Compound ID |
CP0469458
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| Compound Name |
CHEMBL2403867
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| Formula |
C27H34FN3O
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| Molecular Weight |
435.587
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| Canonical SMILES |
Cc1ccc2n([C@H]3CC[C@@H](CC3)NCC3Cc4ccc(F)cc4C3)c(nc2c1)C(C)(C)O
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| InChI |
InChI=1S/C27H34FN3O/c1-17-4-11-25-24(12-17)30-26(27(2,3)32)31(25)23-9-7-22(8-10-23)29-16-18-13-19-5-6-21(28)15-20(19)14-18/h4-6,11-12,15,18,22-23,29,32H,7-10,13-14,16H2,1-3H3/t18?,22-,23-
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| InChIKey |
DDGFVDLVAYBCHA-LUVPUJNKSA-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