General Information of the Compound
| Compound ID |
CP0014671
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| Compound Name |
4-[4-(4-cyclobutyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]butanenitrile
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| Formula |
C20H20N6
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| Molecular Weight |
344.422
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| Canonical SMILES |
N#CCCCn1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)C1CCC1
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| InChI |
InChI=1S/C20H20N6/c21-7-1-2-9-25-13-16(12-24-25)26-18(14-4-3-5-14)10-15-11-23-20-17(19(15)26)6-8-22-20/h6,8,10-14H,1-5,9H2,(H,22,23)
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| InChIKey |
CTQTWUVXNDKRBL-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