General Information of the Compound
| Compound ID |
CP0492953
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| Compound Name |
US9481682, 91
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| Structure |
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| Formula |
C27H24F3N7O4
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| Molecular Weight |
567.528
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@H]2CN3[C@H](CCC3=O)CO2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C27H24F3N7O4/c1-40-18-10-14(26(39)34-20-11-15(6-7-32-20)27(28,29)30)2-4-17(18)22-23-24(31)33-8-9-36(23)25(35-22)19-12-37-16(13-41-19)3-5-21(37)38/h2,4,6-11,16,19H,3,5,12-13H2,1H3,(H2,31,33)(H,32,34,39)/t16-,19-/m1/s1
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| InChIKey |
UDDTYOVMRNCUDF-VQIMIIECSA-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