General Information of the Compound
| Compound ID |
CP0479461
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| Compound Name |
CHEMBL4874306
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| Formula |
C27H23F2N5O3
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| Molecular Weight |
503.509
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| Canonical SMILES |
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(F)cc2F)cc1
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| InChI |
InChI=1S/C27H23F2N5O3/c1-2-3-23(35)33-12-10-16(11-13-33)20-15-31-34-25(26(30)36)24(32-27(20)34)17-4-7-19(8-5-17)37-22-9-6-18(28)14-21(22)29/h4-9,14-16,32H,10-13H2,1H3,(H2,30,36)
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| InChIKey |
KCKZCLBAGLSDHW-UHFFFAOYSA-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