General Information of the Compound
| Compound ID |
CP0393891
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| Compound Name |
(12S,14S,17E)-12-(hydroxymethyl)-23-[(3-methoxyphenyl)methyl]-24-oxo-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)-octaene-7-carbonitrile
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| Structure |
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| Formula |
C33H33N7O5
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| Molecular Weight |
607.671
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| Canonical SMILES |
COc1cccc(CN2C(=O)CCc3cc4Nc5cc(nc6c(cnn56)C#N)N5C[C@H](C[C@H]5CO)OC\C=C\COc(c4)c23)c1
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| InChI |
InChI=1S/C33H33N7O5/c1-43-26-6-4-5-21(11-26)18-39-31(42)8-7-22-12-24-13-28(32(22)39)45-10-3-2-9-44-27-14-25(20-41)38(19-27)29-15-30(36-24)40-33(37-29)23(16-34)17-35-40/h2-6,11-13,15,17,25,27,36,41H,7-10,14,18-20H2,1H3/b3-2+/t25-,27-/m0/s1
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| InChIKey |
VITPQBKTOKJUOO-RVZKJJCTSA-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