General Information of the Compound
| Compound ID |
CP0237145
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| Compound Name |
(3-((4-isopropylpiperazin-1-yl)methyl)-1H-indol-6-yl)(piperidin-1-yl)methanone
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| Structure |
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| Formula |
C22H32N4O
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| Molecular Weight |
368.525
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| Canonical SMILES |
CC(C)N1CCN(Cc2c[nH]c3cc(ccc23)C(=O)N2CCCCC2)CC1
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| InChI |
InChI=1S/C22H32N4O/c1-17(2)25-12-10-24(11-13-25)16-19-15-23-21-14-18(6-7-20(19)21)22(27)26-8-4-3-5-9-26/h6-7,14-15,17,23H,3-5,8-13,16H2,1-2H3
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| InChIKey |
NCQXIAVHPHPHPN-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