General Information of the Compound
Compound ID |
CP0381272
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Compound Name |
[5-(2,3-dihydroindol-1-yl)thiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
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Structure |
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Formula |
C23H29N3OS
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Molecular Weight |
395.572
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Canonical SMILES |
O=C(N1CCC(CC1)N1CCCCC1)c1ccc(s1)N1CCc2ccccc12
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InChI |
InChI=1S/C23H29N3OS/c27-23(25-15-11-19(12-16-25)24-13-4-1-5-14-24)21-8-9-22(28-21)26-17-10-18-6-2-3-7-20(18)26/h2-3,6-9,19H,1,4-5,10-17H2
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InChIKey |
DXWUWYKCSMOOOH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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