General Information of the Compound
| Compound ID |
CP0237283
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| Compound Name |
CHEMBL4214470
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| Formula |
C23H25FN8
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| Molecular Weight |
432.507
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| Canonical SMILES |
N[C@H]1CC[C@H](CC1)NCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
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| InChI |
InChI=1S/C23H25FN8/c24-18-14-26-11-8-19(18)29-23-21-15(13-28-17-6-4-16(25)5-7-17)9-12-32(21)31-22(30-23)20-3-1-2-10-27-20/h1-3,8-12,14,16-17,28H,4-7,13,25H2,(H,26,29,30,31)/t16-,17+
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| InChIKey |
LZJABIHXXPLMEI-CALCHBBNSA-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