General Information of the Compound
| Compound ID |
CP0058996
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| Compound Name |
1-(cyclopropylmethyl)-4-[2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-1,3-benzothiazol-6-yl]pyridin-2-one
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| Structure |
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| Formula |
C23H27N3O2S
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| Molecular Weight |
409.555
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| Canonical SMILES |
C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1
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| InChI |
InChI=1S/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/m0/s1
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| InChIKey |
WTFBXXYMHMHBJI-HNNXBMFYSA-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