General Information of the Compound
| Compound ID |
CP0579851
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| Compound Name |
CHEMBL5190307
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| Formula |
C29H26F2N4O5
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| Molecular Weight |
548.546
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| Canonical SMILES |
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1ccc(C)cn1
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| InChI |
InChI=1S/C29H26F2N4O5/c1-16-7-10-21(32-14-16)26-33-27(36)24(29(38)35(26)25-22(39-2)5-4-6-23(25)40-3)28(37)34-12-11-17(15-34)19-9-8-18(30)13-20(19)31/h4-10,13-14,17,38H,11-12,15H2,1-3H3
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| InChIKey |
HVBYSDWJHIHUOV-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