General Information of the Compound
| Compound ID |
CP0201176
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| Compound Name |
CHEMBL4079697
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| Formula |
C28H27F3N6O3
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| Molecular Weight |
552.557
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| Canonical SMILES |
C[C@]1(CC[C@@](C)(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O
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| InChI |
InChI=1S/C28H27F3N6O3/c1-26(8-10-27(2,11-9-26)25(39)40)24-36-20(21-22(32)34-13-14-37(21)24)16-3-5-17(6-4-16)23(38)35-19-15-18(7-12-33-19)28(29,30)31/h3-7,12-15H,8-11H2,1-2H3,(H2,32,34)(H,39,40)(H,33,35,38)/t26-,27+
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| InChIKey |
KTQAEYIAPRUAEC-MKPDMIMOSA-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