General Information of the Compound
| Compound ID |
CP0906727
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| Compound Name |
2-amino-4-(3-hydroxyphenyl)-7-nitro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C16H11N3O4
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| Molecular Weight |
309.281
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| Canonical SMILES |
N#CC1=C(N)Oc2cc([N+](=O)[O-])ccc2C1c1cccc(O)c1
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| InChI |
InChI=1S/C16H11N3O4/c17-8-13-15(9-2-1-3-11(20)6-9)12-5-4-10(19(21)22)7-14(12)23-16(13)18/h1-7,15,20H,18H2
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| InChIKey |
KSEGFJUAMDAVCA-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