General Information of the Compound
| Compound ID |
CP0499519
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| Compound Name |
1-Methyl-4-piperidin-4-ylidene-1,4-dihydro-1,5,7a-triaza-cyclopenta[f]azulen-9-one; oxalic acid
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| Structure |
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| Formula |
C16H18N4O
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| Molecular Weight |
282.347
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| Canonical SMILES |
Cn1ccc2c1C(=O)Cn1ccnc1C2=C1CCNCC1
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| InChI |
InChI=1S/C16H18N4O/c1-19-8-4-12-14(11-2-5-17-6-3-11)16-18-7-9-20(16)10-13(21)15(12)19/h4,7-9,17H,2-3,5-6,10H2,1H3
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| InChIKey |
CVHQTOGEHBNYHC-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