General Information of the Compound
| Compound ID |
CP0778266
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| Compound Name |
8,10-Diamino-2,3,10a,11-tetrahydro-6aH-1,4,6-trioxa-naphthacene-9-carbonitrile
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| Structure |
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| Formula |
C16H13N3O3
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| Molecular Weight |
295.298
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| Canonical SMILES |
N#Cc1c(N)cc2c(c1N)Cc1cc3c(cc1O2)OCCO3
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| InChI |
InChI=1S/C16H13N3O3/c17-7-10-11(18)5-13-9(16(10)19)3-8-4-14-15(6-12(8)22-13)21-2-1-20-14/h4-6H,1-3,18-19H2
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| InChIKey |
KMCYMYRLXQPIPD-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