General Information of the Compound
| Compound ID |
CP0331609
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| Compound Name |
(12S,14S,17E)-23-benzyl-7-chloro-12-(hydroxymethyl)-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 |
C31H31ClN6O4
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| Molecular Weight |
587.08
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| Canonical SMILES |
OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1
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| InChI |
InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1
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| InChIKey |
AFKBQOSFOXILAT-SYUVZMNCSA-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