General Information of the Compound
| Compound ID |
CP0323445
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| Compound Name |
CHEMBL4097968
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| Formula |
C26H23F3N6O3
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| Molecular Weight |
524.503
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CC1)C(O)=O
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| InChI |
InChI=1S/C26H23F3N6O3/c27-26(28,29)18-9-10-31-19(13-18)33-24(36)16-5-1-14(2-6-16)20-21-22(30)32-11-12-35(21)23(34-20)15-3-7-17(8-4-15)25(37)38/h1-2,5-6,9-13,15,17H,3-4,7-8H2,(H2,30,32)(H,37,38)(H,31,33,36)/t15-,17-
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| InChIKey |
YZLMBXMJXHFDPM-JCNLHEQBSA-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