General Information of the Compound
| Compound ID |
CP0527830
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| Compound Name |
CHEMBL5084042
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| Formula |
C22H26ClFN4O2
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| Molecular Weight |
432.927
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| Canonical SMILES |
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@]3(CC[C@@](C)(O)CC3)c2c1Cl
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| InChI |
InChI=1S/C22H26ClFN4O2/c1-21(30)6-8-22(9-7-21)11-27-19-16(22)17(23)13(10-26-19)12-4-5-14(25)15(18(12)24)20(29)28(2)3/h4-5,10,30H,6-9,11,25H2,1-3H3,(H,26,27)/t21-,22-
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| InChIKey |
FATVHZHGJJYIJI-HZCBDIJESA-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