General Information of the Compound
| Compound ID |
CP0472068
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| Compound Name |
3-[(Z)-[1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2H-indol-3-ylidene]amino]-1,1-dimethylthiourea
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| Structure |
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| Formula |
C26H35N5O2S
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| Molecular Weight |
481.666
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| Canonical SMILES |
COc1cc2CCN(CCCCN3C\C(=N/NC(=S)N(C)C)c4ccccc34)Cc2cc1OC
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| InChI |
InChI=1S/C26H35N5O2S/c1-29(2)26(34)28-27-22-18-31(23-10-6-5-9-21(22)23)13-8-7-12-30-14-11-19-15-24(32-3)25(33-4)16-20(19)17-30/h5-6,9-10,15-16H,7-8,11-14,17-18H2,1-4H3,(H,28,34)/b27-22+
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| InChIKey |
LOWGUFRIBOARHL-HPNDGRJYSA-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