General Information of the Compound
| Compound ID |
CP0515367
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| Compound Name |
US8772283, 14
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| Structure |
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| Formula |
C24H21N3OS
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| Molecular Weight |
399.519
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| Canonical SMILES |
NC1(CCC1)c1ccc(cc1)-c1nc2-c3ccccc3OCn2c1-c1ccsc1
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| InChI |
InChI=1S/C24H21N3OS/c25-24(11-3-12-24)18-8-6-16(7-9-18)21-22(17-10-13-29-14-17)27-15-28-20-5-2-1-4-19(20)23(27)26-21/h1-2,4-10,13-14H,3,11-12,15,25H2
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| InChIKey |
NLPSLEFOKSDSPL-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