General Information of the Compound
| Compound ID |
CP0576410
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| Compound Name |
CHEMBL5207486
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| Formula |
C21H26N2O2
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| Molecular Weight |
338.451
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| Canonical SMILES |
COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@H](CC1)c1ccncc1
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| InChI |
InChI=1S/C21H26N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-5,10-16,18H,6-9H2,1-2H3,(H,23,24)/t15-,16-,18+/m1/s1
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| InChIKey |
IQNOBOSIDWEVKC-NUJGCVRESA-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: PT01258, cGMP-dependent protein kinase 1
Protein ID: PT00890, Rho-associated protein kinase 2