General Information of the Compound
| Compound ID |
CP0295979
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| Compound Name |
CHEMBL1834556
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
Nc1ncnc2OC[C@@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC#N)CC1
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| InChI |
InChI=1S/C20H22N4O2/c21-10-9-13-1-3-14(4-2-13)15-5-7-16(8-6-15)17-11-25-20-18(26-17)19(22)23-12-24-20/h5-8,12-14,17H,1-4,9,11H2,(H2,22,23,24)/t13-,14-,17-/m1/s1
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| InChIKey |
ANLQIPIJDXZXNV-CKEIUWERSA-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