General Information of the Compound
| Compound ID |
CP0479438
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| Compound Name |
3-chloro-5-[8-oxo-5-(6-piperidin-4-yloxypyridin-3-yl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]pyridine-2-carbonitrile
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| Structure |
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| Formula |
C22H21ClN6O2S
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| Molecular Weight |
468.97
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| Canonical SMILES |
Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O
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| InChI |
InChI=1S/C22H21ClN6O2S/c23-17-10-15(13-26-18(17)11-24)28-20(30)22(6-1-7-22)29(21(28)32)14-2-3-19(27-12-14)31-16-4-8-25-9-5-16/h2-3,10,12-13,16,25H,1,4-9H2
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| InChIKey |
ZXSHKSIAPKOCNB-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