General Information of the Compound
| Compound ID |
CP0529365
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| Compound Name |
US9428456, 1.200
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| Structure |
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| Formula |
C22H25ClN4O2
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| Molecular Weight |
412.921
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| Canonical SMILES |
Clc1ccnc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CC2)c1
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| InChI |
InChI=1S/C22H25ClN4O2/c23-17-6-9-24-20(13-17)22(29)26-19-3-1-2-15(12-19)14-27-10-7-16(8-11-27)21(28)25-18-4-5-18/h1-3,6,9,12-13,16,18H,4-5,7-8,10-11,14H2,(H,25,28)(H,26,29)
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| InChIKey |
UYYMEVLDHRYNBG-UHFFFAOYSA-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