General Information of the Compound
| Compound ID |
CP0721096
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| Compound Name |
(S)-2-(benzo[d][1,3]dioxol-5-ylmethylamino)-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-5-morpholinonicotinamide
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| Structure |
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| Formula |
C27H28N4O6
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| Molecular Weight |
504.543
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| Canonical SMILES |
O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2CCOCC2)cnc1NCc1ccc2c(c1)OCO2
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| InChI |
InChI=1S/C27H28N4O6/c32-27(30-15-20-16-34-22-3-1-2-4-24(22)37-20)21-12-19(31-7-9-33-10-8-31)14-29-26(21)28-13-18-5-6-23-25(11-18)36-17-35-23/h1-6,11-12,14,20H,7-10,13,15-17H2,(H,28,29)(H,30,32)/t20-/m0/s1
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| InChIKey |
NYFFIGAXHHVRRJ-FQEVSTJZSA-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