General Information of the Compound
| Compound ID |
CP0536018
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| Compound Name |
US9193726, 35
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| Structure |
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| Formula |
C25H25FN4O3
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| Molecular Weight |
448.498
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@@H]1CC[C@H]1Oc1ccc(F)c2CCCc12
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| InChI |
InChI=1S/C25H25FN4O3/c1-15-13-28(14-27-15)20-6-7-21-25(32)29(11-12-30(21)24(20)31)19-8-10-23(19)33-22-9-5-18(26)16-3-2-4-17(16)22/h5-7,9,13-14,19,23H,2-4,8,10-12H2,1H3/t19-,23-/m1/s1
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| InChIKey |
KXUOSHAFWYNJPL-AUSIDOKSSA-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