General Information of the Compound
| Compound ID |
CP0961933
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| Compound Name |
(R)-4,6-dimethyl-3-(3-methyl-2-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)propyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C30H38N4O2S
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| Molecular Weight |
518.727
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| Canonical SMILES |
CC[C@@H](c1sc2c(c1C)CN(C(=O)c1c(C)cc(C)[nH]c1=O)CC2)C1CCN(Cc2ccccn2)CC1
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| InChI |
InChI=1S/C30H38N4O2S/c1-5-24(22-9-13-33(14-10-22)17-23-8-6-7-12-31-23)28-21(4)25-18-34(15-11-26(25)37-28)30(36)27-19(2)16-20(3)32-29(27)35/h6-8,12,16,22,24H,5,9-11,13-15,17-18H2,1-4H3,(H,32,35)/t24-/m1/s1
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| InChIKey |
NBFOWUSXDQSBHA-XMMPIXPASA-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