General Information of the Compound
| Compound ID |
CP0573904
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| Compound Name |
1-(2,2-dimethylpropyl)-3-[1-[(4-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]thiourea
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| Structure |
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| Formula |
C27H31N3S
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| Molecular Weight |
429.633
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| Canonical SMILES |
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)-c3ccccc3)CCc2c1
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| InChI |
InChI=1S/C27H31N3S/c1-27(2,3)19-28-26(31)29-24-13-14-25-23(17-24)15-16-30(25)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-14,17H,15-16,18-19H2,1-3H3,(H2,28,29,31)
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| InChIKey |
VCDMFLZHZJGGNT-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