General Information of the Compound
| Compound ID |
CP0525586
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| Compound Name |
US10005782, Compound 66
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| Formula |
C22H17N5O2
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| Molecular Weight |
383.411
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| Canonical SMILES |
NC(=O)c1c(nn2c1[nH]c1ccc(N)cc21)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C22H17N5O2/c23-14-8-11-17-18(12-14)27-22(25-17)19(21(24)28)20(26-27)13-6-9-16(10-7-13)29-15-4-2-1-3-5-15/h1-12,25H,23H2,(H2,24,28)
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| InChIKey |
VARKGQPOASCLDR-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