General Information of the Compound
| Compound ID |
CP0557750
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| Compound Name |
US9150519, 1-86
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| Structure |
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| Formula |
C29H41N5O5S
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| Molecular Weight |
571.744
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| Canonical SMILES |
Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C29H41N5O5S/c1-20-16-23(40(37,38)32-15-14-27(35)39-29(2,3)4)12-13-24(20)33-28(36)25-17-26(31-19-30-25)34(18-21-10-11-21)22-8-6-5-7-9-22/h12-13,16-17,19,21-22,32H,5-11,14-15,18H2,1-4H3,(H,33,36)
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| InChIKey |
WNPOCGJFXFBAEK-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