General Information of the Compound
| Compound ID |
CP0218244
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| Compound Name |
US8536198, 80
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| Structure |
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| Formula |
C26H32ClN3O5S
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| Molecular Weight |
534.078
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| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(c1)S(N)(=O)=O
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| InChI |
InChI=1S/C26H32ClN3O5S/c1-25(2)16-30(14-13-26(25,33)18-9-11-19(27)12-10-18)24(32)21-7-4-8-22(21)29-23(31)17-5-3-6-20(15-17)36(28,34)35/h3,5-6,9-12,15,21-22,33H,4,7-8,13-14,16H2,1-2H3,(H,29,31)(H2,28,34,35)/t21-,22+,26-/m0/s1
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| InChIKey |
WMKFYIVKCBIIBN-VRUMLPLGSA-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