General Information of the Compound
| Compound ID |
CP0959442
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| Compound Name |
(3S)-3-(2-methyl-1H-indol-3-yl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C29H29N5O2
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| Molecular Weight |
479.584
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(c2ccccn2)CC1
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| InChI |
InChI=1S/C29H29N5O2/c1-20-27(23-10-4-5-11-24(23)31-20)28-21-8-2-3-9-22(21)29(36)34(28)15-13-26(35)33-18-16-32(17-19-33)25-12-6-7-14-30-25/h2-12,14,28,31H,13,15-19H2,1H3/t28-/m0/s1
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| InChIKey |
YRWPGCHFSRJSMB-NDEPHWFRSA-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