General Information of the Compound
| Compound ID |
CP0434351
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| Compound Name |
6-[4-(2-{[(2S)-2-hydroxy-3-{2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indole]-4'-yloxy}propyl]amino}-2-methylpropyl)phenoxy]pyridine-3-carboxamide
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| Structure |
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| Formula |
C31H36N4O5
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| Molecular Weight |
544.652
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| Canonical SMILES |
CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C3(CCCC3)c12
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| InChI |
InChI=1S/C31H36N4O5/c1-30(2,16-20-8-11-23(12-9-20)40-26-13-10-21(17-33-26)28(32)37)34-18-22(36)19-39-25-7-5-6-24-27(25)31(29(38)35-24)14-3-4-15-31/h5-13,17,22,34,36H,3-4,14-16,18-19H2,1-2H3,(H2,32,37)(H,35,38)/t22-/m0/s1
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| InChIKey |
QXPQGOYPJBKDKD-QFIPXVFZSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor