General Information of the Compound
| Compound ID |
CP0943083
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| Compound Name |
1-(10-Aminomethyl-2-methoxy-5-methyl-5,6,7,8,9,9a-hexahydro-4aH-1-aza-cyclohepta[f]inden-1-yl)-pentan-1-one
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| Structure |
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| Formula |
C21H32N2O2
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| Molecular Weight |
344.499
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| Canonical SMILES |
CCCCC(=O)n1c(OC)cc2c1=C(CN)C1CCCCC(C)C1C=2
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| InChI |
InChI=1S/C21H32N2O2/c1-4-5-10-19(24)23-20(25-3)12-15-11-17-14(2)8-6-7-9-16(17)18(13-22)21(15)23/h11-12,14,16-17H,4-10,13,22H2,1-3H3
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| InChIKey |
AYTZUXJMCXLTAG-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