General Information of the Compound
| Compound ID |
CP0013325
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| Compound Name |
3-[4-(4-thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]propanenitrile
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| Formula |
C19H14N6S
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| Molecular Weight |
358.43
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| Canonical SMILES |
N#CCCn1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)-c1cccs1
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| InChI |
InChI=1S/C19H14N6S/c20-5-2-7-24-12-14(11-23-24)25-16(17-3-1-8-26-17)9-13-10-22-19-15(18(13)25)4-6-21-19/h1,3-4,6,8-12H,2,7H2,(H,21,22)
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| InChIKey |
CYCLMLGHCBIXRH-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