General Information of the Compound
| Compound ID |
CP0479873
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| Compound Name |
US9221790, 11
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| Structure |
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| Formula |
C18H24ClN5O2
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| Molecular Weight |
377.876
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1
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| InChI |
InChI=1S/C18H24ClN5O2/c1-26-16-9-15(20)14(19)8-13(16)18(25)23-10-12-2-6-24(7-3-12)11-17-21-4-5-22-17/h4-5,8-9,12H,2-3,6-7,10-11,20H2,1H3,(H,21,22)(H,23,25)
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| InChIKey |
JANPLEIOOUTRAY-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