General Information of the Compound
| Compound ID |
CP0010585
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| Compound Name |
US9777008, Compound 220
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| Structure |
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| Formula |
C30H34N4O2
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| Molecular Weight |
482.628
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc2ncn(C3CCNCC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C30H34N4O2/c35-27(19-33-15-12-22-4-1-2-5-25(22)18-33)20-36-28-7-3-6-23(16-28)24-8-9-29-30(17-24)34(21-32-29)26-10-13-31-14-11-26/h1-9,16-17,21,26-27,31,35H,10-15,18-20H2
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| InChIKey |
LEQYQKYGCHZQCI-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