General Information of the Compound
| Compound ID |
CP0939943
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| Compound Name |
(2S)-2-benzyl-7-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C31H36N2O3
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| Molecular Weight |
484.64
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| Canonical SMILES |
Cc1cccc(N2CCN(C[C@@H](O)COc3cccc4c3C(=O)[C@@H](Cc3ccccc3)C4)CC2)c1C
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| InChI |
InChI=1S/C31H36N2O3/c1-22-8-6-12-28(23(22)2)33-16-14-32(15-17-33)20-27(34)21-36-29-13-7-11-25-19-26(31(35)30(25)29)18-24-9-4-3-5-10-24/h3-13,26-27,34H,14-21H2,1-2H3/t26-,27+/m0/s1
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| InChIKey |
YGNPAKBDYVGKFA-RRPNLBNLSA-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