General Information of the Compound
| Compound ID |
CP0008307
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| Compound Name |
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-[5-[4-[[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methyl]phenyl]pyridin-3-yl]pyridine-3-sulfonamide
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| Formula |
C30H37N5O4S
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| Molecular Weight |
563.724
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1
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| InChI |
InChI=1S/C30H37N5O4S/c1-21-18-35(19-22(2)34(21)3)20-23-5-7-24(8-6-23)26-13-28(17-31-15-26)33-40(36,37)29-14-27(16-32-30(29)38-4)25-9-11-39-12-10-25/h5-9,13-17,21-22,33H,10-12,18-20H2,1-4H3/t21-,22+
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| InChIKey |
QBEOOGVPVVLLQL-SZPZYZBQSA-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