General Information of the Compound
| Compound ID |
CP0870839
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| Compound Name |
7-Ethyl-4-methyl-2-styryl-1,4,6,7-tetrahydro-1,3,4,5a,8-pentaaza-as-indacen-5-one
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| Formula |
C18H19N5O
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| Molecular Weight |
321.384
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| Canonical SMILES |
CC[C@@H]1CN2C(=O)N(C)c3[nH]c(/C=C/c4ccccc4)nc3C2=N1
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| InChI |
InChI=1S/C18H19N5O/c1-3-13-11-23-17(19-13)15-16(22(2)18(23)24)21-14(20-15)10-9-12-7-5-4-6-8-12/h4-10,13H,3,11H2,1-2H3,(H,20,21)/b10-9+/t13-/m1/s1
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| InChIKey |
IRVOHUFHTRNURC-WTNCMQEWSA-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