General Information of the Compound
| Compound ID |
CP0014869
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| Compound Name |
4-[4-[4-(5-methylthiophen-2-yl)-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 |
C21H18N6S
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| Molecular Weight |
386.484
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| Canonical SMILES |
Cc1ccc(s1)-c1cc2cnc3[nH]ccc3c2n1-c1cnn(CCCC#N)c1
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| InChI |
InChI=1S/C21H18N6S/c1-14-4-5-19(28-14)18-10-15-11-24-21-17(6-8-23-21)20(15)27(18)16-12-25-26(13-16)9-3-2-7-22/h4-6,8,10-13H,2-3,9H2,1H3,(H,23,24)
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| InChIKey |
JZOIEFIDJQJNID-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