General Information of the Compound
| Compound ID |
CP0442041
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| Compound Name |
US8987445, 85
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| Structure |
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| Formula |
C29H29N3O4S
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| Molecular Weight |
515.635
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(CC1CCN(CC1)c1ccccc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H29N3O4S/c1-21-27-10-6-5-7-24(27)19-30-28(21)32(37(35,36)26-13-11-23(12-14-26)29(33)34)20-22-15-17-31(18-16-22)25-8-3-2-4-9-25/h2-14,19,22H,15-18,20H2,1H3,(H,33,34)
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| InChIKey |
WEAGOTAIBHAUBL-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