General Information of the Compound
| Compound ID |
CP0521736
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| Compound Name |
(12S,14S,17E)-7-chloro-12-(hydroxymethyl)-23-methyl-15,20-dioxa-2,4,5,9,11,23-hexazahexacyclo[19.7.1.13,10.111,14.04,8.022,27]hentriaconta-1(28),3(31),5,7,9,17,21(29),22(27)-octaen-24-one
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| Structure |
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| Formula |
C25H27ClN6O4
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| Molecular Weight |
510.982
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| Canonical SMILES |
CN1C(=O)CCc2cc3Nc4cc(nc5c(Cl)cnn45)N4C[C@H](C[C@H]4CO)OC\C=C\COc(c3)c12
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| InChI |
InChI=1S/C25H27ClN6O4/c1-30-23(34)5-4-15-8-16-9-20(24(15)30)36-7-3-2-6-35-18-10-17(14-33)31(13-18)21-11-22(28-16)32-25(29-21)19(26)12-27-32/h2-3,8-9,11-12,17-18,28,33H,4-7,10,13-14H2,1H3/b3-2+/t17-,18-/m0/s1
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| InChIKey |
QRERFNICIICVTE-QLVMYSCWSA-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
Protein ID: PT06722, Zinc finger and BTB domain-containing protein 16
Cell Viability or Cytotoxicity Assay