General Information of the Compound
| Compound ID |
CP0526769
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| Compound Name |
N-[[3-[3-(1,4-diazepan-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
O=C(NCc1cccc(c1)-c1cccc(CN2CCCNCC2)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H29N3O3/c31-27(24-8-9-25-26(16-24)33-19-32-25)29-17-20-4-1-6-22(14-20)23-7-2-5-21(15-23)18-30-12-3-10-28-11-13-30/h1-2,4-9,14-16,28H,3,10-13,17-19H2,(H,29,31)
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| InChIKey |
UKAFLVCFAOWFQE-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