General Information of the Compound
| Compound ID |
CP0420105
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| Compound Name |
2,2-Dimethyl-propionic acid 4-{4-[4-(5-methoxy-1H-indol-3-yl)-butyl]-piperazin-1-yl}-phenyl ester
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| Structure |
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| Formula |
C28H37N3O3
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| Molecular Weight |
463.622
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC(=O)C(C)(C)C)cc3)c2c1
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| InChI |
InChI=1S/C28H37N3O3/c1-28(2,3)27(32)34-23-10-8-22(9-11-23)31-17-15-30(16-18-31)14-6-5-7-21-20-29-26-13-12-24(33-4)19-25(21)26/h8-13,19-20,29H,5-7,14-18H2,1-4H3
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| InChIKey |
NVUYURVDDUMVRT-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