General Information of the Compound
| Compound ID |
CP0434598
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| Compound Name |
3-(6-chloro-2-ethoxypyridin-3-yl)-1-(5-methoxypyridin-2-yl)sulfonyl-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile
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| Structure |
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| Formula |
C31H28ClN7O5S
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| Molecular Weight |
646.129
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| Canonical SMILES |
CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1
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| InChI |
InChI=1S/C31H28ClN7O5S/c1-3-44-29-24(6-8-27(32)36-29)31(38-16-14-37(15-17-38)22-10-12-34-13-11-22)25-18-21(19-33)4-7-26(25)39(30(31)40)45(41,42)28-9-5-23(43-2)20-35-28/h4-13,18,20H,3,14-17H2,1-2H3
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| InChIKey |
VBBBMBNPLKHHEO-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