General Information of the Compound
| Compound ID |
CP0423287
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| Compound Name |
US9193736, 54
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| Structure |
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| Formula |
C29H24N8O2
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| Molecular Weight |
516.565
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| Canonical SMILES |
Oc1ncn(n1)-c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
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| InChI |
InChI=1S/C29H24N8O2/c38-29-30-19-36(34-29)23-10-6-21(7-11-23)27-25(12-9-22-8-5-20-3-1-2-4-24(20)32-22)33-28-26(13-14-31-37(27)28)35-15-17-39-18-16-35/h1-14,19H,15-18H2,(H,34,38)/b12-9+
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| InChIKey |
INYLSLWNPQZRRW-FMIVXFBMSA-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