General Information of the Compound
| Compound ID |
CP0414195
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| Compound Name |
N-[5-[(1R)-2-[2-[4-[4-(2-amino-2-methylpropoxy)anilino]phenyl]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
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| Structure |
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| Formula |
C27H34N4O4
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| Molecular Weight |
478.593
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| Canonical SMILES |
CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1
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| InChI |
InChI=1S/C27H34N4O4/c1-27(2,28)17-35-23-10-8-22(9-11-23)31-21-6-3-19(4-7-21)13-14-29-16-26(34)20-5-12-25(33)24(15-20)30-18-32/h3-12,15,18,26,29,31,33-34H,13-14,16-17,28H2,1-2H3,(H,30,32)/t26-/m0/s1
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| InChIKey |
BOGKGWCOWBCLCB-SANMLTNESA-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