General Information of the Compound
| Compound ID |
CP0012630
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| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-(piperazin-1-ylmethyl)phenyl]pyridin-3-yl]pyridine-3-sulfonamide
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| Formula |
C27H31N5O4S
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| Molecular Weight |
521.643
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCNCC2)cc1)C1=CCOCC1
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| InChI |
InChI=1S/C27H31N5O4S/c1-35-27-26(15-24(17-30-27)22-6-12-36-13-7-22)37(33,34)31-25-14-23(16-29-18-25)21-4-2-20(3-5-21)19-32-10-8-28-9-11-32/h2-6,14-18,28,31H,7-13,19H2,1H3
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| InChIKey |
NGBQRIOODLGVTA-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