General Information of the Compound
| Compound ID |
CP0373246
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| Compound Name |
6-(4-Cyano-3-{(R)-3-[1,1-dimethyl-2-(1-oxo-1,3-dihydro-isoindol-2-yl)-ethylamino]-2-hydroxy-propoxy}-phenyl)-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic acid
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| Structure |
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| Formula |
C31H35N3O5
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| Molecular Weight |
529.637
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| Canonical SMILES |
CC(C)(CN1Cc2ccccc2C1=O)NC[C@@H](O)COc1cc(ccc1C#N)C1CC2CC1C1C2C1C(O)=O
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| InChI |
InChI=1S/C31H35N3O5/c1-31(2,16-34-14-19-5-3-4-6-22(19)29(34)36)33-13-21(35)15-39-25-11-17(7-8-18(25)12-32)23-9-20-10-24(23)27-26(20)28(27)30(37)38/h3-8,11,20-21,23-24,26-28,33,35H,9-10,13-16H2,1-2H3,(H,37,38)/t20?,21-,23?,24?,26?,27?,28?/m1/s1
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| InChIKey |
VHTQMIFQKOMXMR-DQODAYLHSA-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