General Information of the Compound
| Compound ID |
CP0379423
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| Compound Name |
CHEMBL1667944
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| Formula |
C30H26FN9O
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| Molecular Weight |
547.598
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nnc[nH]1
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| InChI |
InChI=1S/C30H26FN9O/c31-23-21(12-10-18-11-13-22(36-24(18)23)17-4-2-1-3-5-17)25-26-27(32)33-14-15-40(26)28(37-25)19-6-8-20(9-7-19)29(41)38-30-34-16-35-39-30/h1-5,10-16,19-20H,6-9H2,(H2,32,33)(H2,34,35,38,39,41)/t19-,20-
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| InChIKey |
HRPGTNDFPPKQOL-MXVIHJGJSA-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