General Information of the Compound
| Compound ID |
CP0412952
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| Compound Name |
(12S,14S,17E)-7-chloro-12-(hydroxymethyl)-23-[(3-methoxyphenyl)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 |
C32H33ClN6O5
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| Molecular Weight |
617.106
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| Canonical SMILES |
COc1cccc(CN2C(=O)CCc3cc4Nc5cc(nc6c(Cl)cnn56)N5C[C@H](C[C@H]5CO)OC\C=C\COc(c4)c23)c1
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| InChI |
InChI=1S/C32H33ClN6O5/c1-42-24-6-4-5-20(11-24)17-38-30(41)8-7-21-12-22-13-27(31(21)38)44-10-3-2-9-43-25-14-23(19-40)37(18-25)28-15-29(35-22)39-32(36-28)26(33)16-34-39/h2-6,11-13,15-16,23,25,35,40H,7-10,14,17-19H2,1H3/b3-2+/t23-,25-/m0/s1
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| InChIKey |
QUTCDOJKEIYLAL-ZPRFHTKYSA-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: PT04856, B-cell lymphoma 6 protein
Protein ID: PT06722, Zinc finger and BTB domain-containing protein 16
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000106 | OCI-Ly3 | Homo sapiens (Human) | 1 |
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GI50 > 31622.78 nM
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| CL000180 | Karpas-422 | Homo sapiens (Human) | 1 |
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GI50 = 25118.86 nM
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