General Information of the Compound
| Compound ID |
CP0479208
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| Compound Name |
US9212153, 54
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| Structure |
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| Formula |
C29H28N4O
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| Molecular Weight |
448.57
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CCC21CCc2c(C)cccc2C1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C29H28N4O/c1-19-5-3-8-24-17-28(14-12-25(19)24)13-11-21-9-10-23(22-7-4-6-20(15-22)18-30)16-26(21)29(28)32-27(31)33(2)34-29/h3-10,15-16H,11-14,17H2,1-2H3,(H2,31,32)
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| InChIKey |
VUJFGKUKYCVRTC-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