General Information of the Compound
| Compound ID |
CP0576190
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| Compound Name |
CHEMBL4860822
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| Formula |
C23H27ClN6O2
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| Molecular Weight |
454.962
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| Canonical SMILES |
COc1cc(ccc1Cl)-c1cn([C@@H]2C[C@@H](C2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
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| InChI |
InChI=1S/C23H27ClN6O2/c1-14(31)28-5-7-29(8-6-28)16-10-17(11-16)30-12-18(21-22(25)26-13-27-23(21)30)15-3-4-19(24)20(9-15)32-2/h3-4,9,12-13,16-17H,5-8,10-11H2,1-2H3,(H2,25,26,27)/t16-,17+
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| InChIKey |
UNYPIMGHSNYOJD-CALCHBBNSA-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