General Information of the Compound
| Compound ID |
CP0140059
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| Compound Name |
CHEMBL480501
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| Formula |
C28H33F3N8O
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| Molecular Weight |
554.621
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| Canonical SMILES |
Cn1c(nc2cc(ccc12)C(F)(F)F)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C
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| InChI |
InChI=1S/C28H33F3N8O/c1-27(2,3)19-9-12-21(13-10-19)39(26-32-22-15-20(28(29,30)31)11-14-23(22)38(26)4)16-17-5-7-18(8-6-17)24(40)33-25-34-36-37-35-25/h5-8,11,14-15,19,21H,9-10,12-13,16H2,1-4H3,(H2,33,34,35,36,37,40)/t19-,21-
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| InChIKey |
WSMJMACKNHBKSD-XUTJKUGGSA-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