General Information of the Compound
| Compound ID |
CP0688072
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| Compound Name |
(R)-2-(2-{4-[1-(Naphthalen-1-ylamino)-2-nitro-vinylamino]-phenyl}-ethylamino)-1-pyridin-3-yl-ethanol
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| Structure |
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| Formula |
C27H27N5O3
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| Molecular Weight |
469.545
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| Canonical SMILES |
O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C27H27N5O3/c33-26(22-7-4-15-28-17-22)18-29-16-14-20-10-12-23(13-11-20)30-27(19-32(34)35)31-25-9-3-6-21-5-1-2-8-24(21)25/h1-13,15,17,19,26,29-31,33H,14,16,18H2/b27-19+/t26-/m0/s1
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| InChIKey |
NZUWGBRHIBWJBZ-GUKAZZPRSA-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
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor