General Information of the Compound
| Compound ID |
CP0238255
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C33H38N6O3S
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| Molecular Weight |
598.773
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| Canonical SMILES |
COc1nc(sc1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C33H38N6O3S/c1-42-32-29(43-33(39-32)22-16-19-34-27(20-22)38-30(40)21-14-15-21)31(41)36-18-9-3-2-8-17-35-28-23-10-4-6-12-25(23)37-26-13-7-5-11-24(26)28/h4,6,10,12,16,19-21H,2-3,5,7-9,11,13-15,17-18H2,1H3,(H,35,37)(H,36,41)(H,34,38,40)
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| InChIKey |
BHHVWPMBOQGGMM-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