General Information of the Compound
| Compound ID |
CP0555734
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| Compound Name |
CHEMBL3715469
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| Formula |
C20H27N5O2
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| Molecular Weight |
369.469
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| Canonical SMILES |
COc1cc(cnc1N)-c1cc([C@@H]2[C@H]3CN(C[C@@H]23)C2COC2)n(n1)C(C)C
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| InChI |
InChI=1S/C20H27N5O2/c1-11(2)25-17(19-14-7-24(8-15(14)19)13-9-27-10-13)5-16(23-25)12-4-18(26-3)20(21)22-6-12/h4-6,11,13-15,19H,7-10H2,1-3H3,(H2,21,22)/t14-,15+,19+
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| InChIKey |
UJYFHUMYVUPECL-QWHZDKJVSA-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: PT02542, Mitogen-activated protein kinase kinase kinase 12