General Information of the Compound
| Compound ID |
CP0469823
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| Compound Name |
US9469631, 83
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| Structure |
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| Formula |
C30H36N4O3
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| Molecular Weight |
500.643
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| Canonical SMILES |
Cc1c(ncn1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C)-c1ccccc1
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| InChI |
InChI=1S/C30H36N4O3/c1-21-27(22-8-6-5-7-9-22)31-20-33(21)24-12-10-23(11-13-24)28(35)34(25-14-15-25)26-16-18-32(19-17-26)29(36)37-30(2,3)4/h5-13,20,25-26H,14-19H2,1-4H3
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| InChIKey |
ATSQNOFADIUFLZ-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