General Information of the Compound
| Compound ID |
CP0562826
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| Compound Name |
1-(2,2-dimethylpropyl)-3-[1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]thiourea
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| Structure |
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| Formula |
C25H29N3S
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| Molecular Weight |
403.595
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| Canonical SMILES |
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc4ccccc4c3)CCc2c1
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| InChI |
InChI=1S/C25H29N3S/c1-25(2,3)17-26-24(29)27-22-10-11-23-21(15-22)12-13-28(23)16-18-8-9-19-6-4-5-7-20(19)14-18/h4-11,14-15H,12-13,16-17H2,1-3H3,(H2,26,27,29)
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| InChIKey |
HUMBIZSINIZKFR-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