General Information of the Compound
| Compound ID |
CP0496337
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| Compound Name |
2-[(E)-2-(9,9a-Dihydro-4aH-xanthen-9-yl)-vinyl]-1-methyl-piperidine
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| Structure |
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| Formula |
C21H25NO
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| Molecular Weight |
307.437
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| Canonical SMILES |
CN1CCCCC1\C=C\C1C2C=CC=CC2Oc2ccccc12
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| InChI |
InChI=1S/C21H25NO/c1-22-15-7-6-8-16(22)13-14-17-18-9-2-4-11-20(18)23-21-12-5-3-10-19(17)21/h2-5,9-14,16-18,20H,6-8,15H2,1H3/b14-13+
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| InChIKey |
ICGBAPUYWRSKRD-BUHFOSPRSA-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