General Information of the Compound
| Compound ID |
CP0174855
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| Compound Name |
BMCL193669 Compound 26
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| Structure |
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| Formula |
C30H40N4O4S
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| Molecular Weight |
552.741
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| Canonical SMILES |
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1
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| InChI |
InChI=1S/C30H40N4O4S/c1-3-22-20-34-14-15-39(37,38)33(2)27-18-23(17-25(22)29(27)34)30(36)32-26(16-21-10-6-4-7-11-21)28(35)19-31-24-12-8-5-9-13-24/h4,6-7,10-11,17-18,20,24,26,28,31,35H,3,5,8-9,12-16,19H2,1-2H3,(H,32,36)/t26-,28+/m0/s1
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| InChIKey |
MZZUETJXSRAUTC-XTEPFMGCSA-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