General Information of the Compound
| Compound ID |
CP0389793
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| Compound Name |
CHEMBL1916247
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| Formula |
C22H22ClN5O2
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| Molecular Weight |
423.904
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| Canonical SMILES |
CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H22ClN5O2/c1-21(2)18(27-17(29)16-12-26-20-25-8-5-9-28(16)20)22(3,4)19(21)30-14-7-6-13(11-24)15(23)10-14/h5-10,12,18-19H,1-4H3,(H,27,29)/t18-,19-
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| InChIKey |
BPBNRBPFAJMRAQ-WGSAOQKQSA-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