General Information of the Compound
| Compound ID |
CP0954938
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| Compound Name |
DNDI1417613
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| Structure |
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| Formula |
C20H19ClN2O2
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| Molecular Weight |
354.837
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| Canonical SMILES |
Oc1c(C(c2ccccc2Cl)N2CCOCC2)ccc2cccnc12
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| InChI |
InChI=1S/C20H19ClN2O2/c21-17-6-2-1-5-15(17)19(23-10-12-25-13-11-23)16-8-7-14-4-3-9-22-18(14)20(16)24/h1-9,19,24H,10-13H2
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| InChIKey |
TWFDNMVGHYWJHC-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