General Information of the Compound
| Compound ID |
CP0852141
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| Compound Name |
SID50107064
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| Structure |
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| Formula |
C23H30ClN3O2S2
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| Molecular Weight |
480.099
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| Canonical SMILES |
CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.Cl
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| InChI |
InChI=1S/C23H29N3O2S2.ClH/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;/h4-5,7-11,17H,6,12-16H2,1-3H3;1H/b19-8-;
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| InChIKey |
ALDJVABCVUVJGI-SRJUEMFDSA-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