General Information of the Compound
| Compound ID |
CP0436721
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| Compound Name |
CHEMBL2178948
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@]22CC[C@@H](CC2)C(O)=O)c1
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| InChI |
InChI=1S/C22H25N3O3/c1-12-18(25-19(20(23)26)13(2)24-12)16-3-4-17-15(11-16)7-10-22(17)8-5-14(6-9-22)21(27)28/h3-4,11,14H,5-10H2,1-2H3,(H2,23,26)(H,27,28)/t14-,22+
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| InChIKey |
QZOAOSNSNYIGEZ-XLOAEROZSA-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