General Information of the Compound
| Compound ID |
CP0658182
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| Compound Name |
(R)-2-(2-{4-[1-(Naphthalen-2-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)Nc1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H27N5O3/c33-26(23-6-3-14-28-17-23)18-29-15-13-20-7-10-24(11-8-20)30-27(19-32(34)35)31-25-12-9-21-4-1-2-5-22(21)16-25/h1-12,14,16-17,19,26,29-31,33H,13,15,18H2/b27-19+/t26-/m0/s1
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| InChIKey |
VOWKYZCTICWKQD-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