General Information of the Compound
| Compound ID |
CP0417811
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| Compound Name |
US8772283, 26
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| Structure |
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| Formula |
C30H29N3O2
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| Molecular Weight |
463.581
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| Canonical SMILES |
Cc1ccc2-c3nc(c(-c4ccccc4)n3COc2c1)-c1ccc(cc1)C1(N)CC(O)(C1)C1CC1
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| InChI |
InChI=1S/C30H29N3O2/c1-19-7-14-24-25(15-19)35-18-33-27(21-5-3-2-4-6-21)26(32-28(24)33)20-8-10-22(11-9-20)29(31)16-30(34,17-29)23-12-13-23/h2-11,14-15,23,34H,12-13,16-18,31H2,1H3
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| InChIKey |
FKOOFFGUXHNLNF-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
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase