General Information of the Compound
| Compound ID |
CP0414715
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| Compound Name |
US8853203, 88a
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1
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| InChI |
InChI=1S/C22H21N5O2/c1-2-4-15-5-3-6-17-16(15)7-9-27-19(17)11-20(24-12-21(27)28)26-13-18(25-14-26)22-23-8-10-29-22/h3,5-6,8,10-11,13-14H,2,4,7,9,12H2,1H3
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| InChIKey |
YNXWIWIZFMWKTF-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