General Information of the Compound
| Compound ID |
CP0431822
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| Compound Name |
3-[(Z)-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]-2H-indol-3-ylidene]amino]-1,1-dimethylthiourea
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| Structure |
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| Formula |
C25H40N6S
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| Molecular Weight |
456.704
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| Canonical SMILES |
CN(C)C(=S)N\N=C1/CN(CCCCN2CCN(CC2)C2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C25H40N6S/c1-28(2)25(32)27-26-23-20-31(24-13-7-6-12-22(23)24)15-9-8-14-29-16-18-30(19-17-29)21-10-4-3-5-11-21/h6-7,12-13,21H,3-5,8-11,14-20H2,1-2H3,(H,27,32)/b26-23+
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| InChIKey |
HRWLDULHYVMMIR-WNAAXNPUSA-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell Viability or Cytotoxicity Assay