General Information of the Compound
| Compound ID |
CP0517670
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| Compound Name |
CHEMBL1916253
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| Formula |
C22H26ClN5O3
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| Molecular Weight |
443.935
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| Canonical SMILES |
CNC(=O)Cn1ccc(n1)C(=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/C22H26ClN5O3/c1-21(2)19(26-18(30)16-8-9-28(27-16)12-17(29)25-5)22(3,4)20(21)31-14-7-6-13(11-24)15(23)10-14/h6-10,19-20H,12H2,1-5H3,(H,25,29)(H,26,30)/t19-,20-
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| InChIKey |
QZVUDGBPCSXUBE-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