General Information of the Compound
| Compound ID |
CP0578226
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| Compound Name |
US10336717, Compound 179
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| Structure |
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| Formula |
C25H25FN4O2
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| Molecular Weight |
432.499
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccc(F)c(c2)C#N)CC1
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| InChI |
InChI=1S/C25H25FN4O2/c1-30-22(31)25(29-23(30)28)20-12-16(15-5-6-21(26)18(11-15)14-27)3-4-17(20)13-24(25)9-7-19(32-2)8-10-24/h3-6,11-12,19H,7-10,13H2,1-2H3,(H2,28,29)
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| InChIKey |
NGDMMAMORNIVDN-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