General Information of the Compound
| Compound ID |
CP0575416
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| Compound Name |
CHEMBL5202635
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| Formula |
C28H28F2N6O3
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| Molecular Weight |
534.567
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| Canonical SMILES |
CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(F)cc2F)c(=O)nc1-c1ccn(C)n1
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| InChI |
InChI=1S/C28H28F2N6O3/c1-4-16-7-6-8-17(5-2)24(16)36-25(21-10-11-34(3)33-21)32-26(37)22(28(36)39)27(38)35-12-9-18(15-35)23-20(30)13-19(29)14-31-23/h6-8,10-11,13-14,18,39H,4-5,9,12,15H2,1-3H3/t18-/m1/s1
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| InChIKey |
ULJBOAPUPRQLMW-GOSISDBHSA-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