General Information of the Compound
| Compound ID |
CP0050469
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| Compound Name |
14-amino-15-chloro-5-(1-methylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
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| Structure |
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| Formula |
C18H13ClN4O
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| Molecular Weight |
336.782
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2ccc3ccc(N)c(Cl)c3c(=O)c2c1
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| InChI |
InChI=1S/C18H13ClN4O/c1-23-9-12(8-22-23)11-6-13-15(21-7-11)5-3-10-2-4-14(20)17(19)16(10)18(13)24/h2-9H,20H2,1H3
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| InChIKey |
WXMLJXVNLBXZLH-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