General Information of the Compound
| Compound ID |
CP0952400
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| Compound Name |
SID144189669
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| Structure |
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| Formula |
C32H37N3O4S
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| Molecular Weight |
559.732
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| Canonical SMILES |
COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C32H37N3O4S/c1-23-9-12-26(13-10-23)40(37,38)35-17-15-32(16-18-35)22-34(20-24-7-5-4-6-8-24)29(21-36)31-30(32)27-14-11-25(39-3)19-28(27)33(31)2/h4-14,19,29,36H,15-18,20-22H2,1-3H3/t29-/m0/s1
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| InChIKey |
ZWZQELIZCAQILB-LJAQVGFWSA-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