General Information of the Compound
| Compound ID |
CP0443081
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| Compound Name |
US10077266, Example 92
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| Structure |
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| Formula |
C25H32FN5O3
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| Molecular Weight |
469.561
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| Canonical SMILES |
COc1ccc(OC2CCN(CC2)c2nc3CN(CCc3nc2NC2CCC2)C(C)=O)c(F)c1
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| InChI |
InChI=1S/C25H32FN5O3/c1-16(32)31-13-10-21-22(15-31)29-25(24(28-21)27-17-4-3-5-17)30-11-8-18(9-12-30)34-23-7-6-19(33-2)14-20(23)26/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,27,28)
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| InChIKey |
LYHKILMWCNIPHU-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