General Information of the Compound
| Compound ID |
CP0456492
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| Compound Name |
US8772283, 58
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| Structure |
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| Formula |
C30H30N4O4
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| Molecular Weight |
510.594
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| Canonical SMILES |
CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3ccc(cc3OCn2c1-c1ccccc1)C(=O)NCCO
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| InChI |
InChI=1S/C30H30N4O4/c1-29(37)16-30(31,17-29)22-10-7-19(8-11-22)25-26(20-5-3-2-4-6-20)34-18-38-24-15-21(28(36)32-13-14-35)9-12-23(24)27(34)33-25/h2-12,15,35,37H,13-14,16-18,31H2,1H3,(H,32,36)
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| InChIKey |
YQYPEKJWQWODNB-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