General Information of the Compound
| Compound ID |
CP0228470
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| Compound Name |
CID21428857
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| Structure |
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| Formula |
C19H22N4O3
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| Molecular Weight |
354.41
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| Canonical SMILES |
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccco1
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| InChI |
InChI=1S/C19H22N4O3/c24-18(17-6-3-13-26-17)20-9-12-22-10-7-14(8-11-22)23-16-5-2-1-4-15(16)21-19(23)25/h1-6,13-14H,7-12H2,(H,20,24)(H,21,25)
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| InChIKey |
VINUTNSITPWXDD-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