General Information of the Compound
| Compound ID |
CP0495788
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| Compound Name |
CHEMBL1916248
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| Formula |
C23H24ClN5O2
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| Molecular Weight |
437.931
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| Canonical SMILES |
Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C
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| InChI |
InChI=1S/C23H24ClN5O2/c1-13-17(29-10-6-9-26-21(29)27-13)18(30)28-19-22(2,3)20(23(19,4)5)31-15-8-7-14(12-25)16(24)11-15/h6-11,19-20H,1-5H3,(H,28,30)/t19-,20-
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| InChIKey |
RTYRPBCRONQBGK-MXVIHJGJSA-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