General Information of the Compound
| Compound ID |
CP0377514
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| Compound Name |
18-methoxy-12-(4-methoxyphenyl)-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16(21),17,19-heptaene
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| Structure |
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| Formula |
C27H26N2O2
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| Molecular Weight |
410.517
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| Canonical SMILES |
COc1ccc(cc1)C1N2CCc3cc(OC)ccc3C2Cc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C27H26N2O2/c1-30-19-9-7-17(8-10-19)27-26-23(22-5-3-4-6-24(22)28-26)16-25-21-12-11-20(31-2)15-18(21)13-14-29(25)27/h3-12,15,25,27-28H,13-14,16H2,1-2H3
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| InChIKey |
KMEGVCFAXDEADV-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