General Information of the Compound
| Compound ID |
CP0185514
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| Compound Name |
12-[3-(hydroxymethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
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| Structure |
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| Formula |
C18H12N4O
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| Molecular Weight |
300.321
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| Canonical SMILES |
OCc1cccc(c1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
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| InChI |
InChI=1S/C18H12N4O/c19-7-14-6-15-16-5-13(12-3-1-2-11(4-12)10-23)8-21-18(16)22-17(15)9-20-14/h1-6,8-9,23H,10H2,(H,21,22)
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| InChIKey |
UKGSDNPQGGCVHX-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