General Information of the Compound
| Compound ID |
CP0570994
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| Compound Name |
16-(1-methylpyrazol-4-yl)-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-4-amine
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| Structure |
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| Formula |
C19H18N6
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| Molecular Weight |
330.395
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
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| InChI |
InChI=1S/C19H18N6/c1-25-10-13(9-22-25)11-5-6-15-14(7-11)17-16(23-15)4-2-3-12-8-21-19(20)24-18(12)17/h5-10,23H,2-4H2,1H3,(H2,20,21,24)
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| InChIKey |
QJSZCMFUNDAQHU-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