General Information of the Compound
| Compound ID |
CP0366643
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| Compound Name |
5-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one
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| Structure |
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| Formula |
C24H26N6O2
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| Molecular Weight |
430.512
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| Canonical SMILES |
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)CCc3c2)CC1
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| InChI |
InChI=1S/C24H26N6O2/c31-23-8-4-20-15-19(3-7-22(20)23)9-10-28-11-13-29(14-12-28)24(32)16-18-1-5-21(6-2-18)30-17-25-26-27-30/h1-3,5-7,15,17H,4,8-14,16H2
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| InChIKey |
VQPKBUFFFXCJLP-UHFFFAOYSA-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