General Information of the Compound
| Compound ID |
CP0801129
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| Compound Name |
SID862358
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| Structure |
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| Formula |
C23H24ClN5O2
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| Molecular Weight |
437.931
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| Canonical SMILES |
CC(=O)N1CCN(c2ccc(Nc3nc(C)nc4c3oc3ccccc34)cc2)CC1.Cl
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| InChI |
InChI=1S/C23H23N5O2.ClH/c1-15-24-21-19-5-3-4-6-20(19)30-22(21)23(25-15)26-17-7-9-18(10-8-17)28-13-11-27(12-14-28)16(2)29;/h3-10H,11-14H2,1-2H3,(H,24,25,26);1H
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| InChIKey |
KQEWWCQMRGIPKN-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