General Information of the Compound
| Compound ID |
CP0565677
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| Compound Name |
US9199981, F55a
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| Structure |
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| Formula |
C22H21N5O3
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| Molecular Weight |
403.442
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(CCC2(O)CC2)n1
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| InChI |
InChI=1S/C22H21N5O3/c1-14-5-6-15(20-25-19(30-26-20)7-8-22(29)9-10-22)12-16(14)24-21(28)17-13-23-18-4-2-3-11-27(17)18/h2-6,11-13,29H,7-10H2,1H3,(H,24,28)
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| InChIKey |
KKVSEJYYZYNJTP-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