General Information of the Compound
| Compound ID |
CP0101898
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| Compound Name |
5-chloro-3-(2-isothiocyanatoethyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C25H27ClN4OS
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| Molecular Weight |
467.038
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| Canonical SMILES |
Clc1ccc2[nH]c(C(=O)NCCc3ccc(cc3)N3CCCCC3)c(CCN=C=S)c2c1
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| InChI |
InChI=1S/C25H27ClN4OS/c26-19-6-9-23-22(16-19)21(11-12-27-17-32)24(29-23)25(31)28-13-10-18-4-7-20(8-5-18)30-14-2-1-3-15-30/h4-9,16,29H,1-3,10-15H2,(H,28,31)
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| InChIKey |
HCEQRQFUJFEIJQ-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