General Information of the Compound
| Compound ID |
CP0439541
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| Compound Name |
16-(hydroxymethyl)-22-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-4,14,18-triazaheptacyclo[12.10.2.0^{2,6}.0^{7,26}.0^{8,13}.0^{18,25}.0^{19,24}]hexacosa-1(25),2(6),7(26),8,10,12,19(24),20,22-nonaen-3-one
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| Structure |
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| Formula |
C30H24N4O2S
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| Molecular Weight |
504.615
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| Canonical SMILES |
Cc1ncsc1\C=C\c1ccc2n3CC(CO)Cn4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45
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| InChI |
InChI=1S/C30H24N4O2S/c1-16-24(37-15-32-16)9-7-17-6-8-23-20(10-17)26-27-21(11-31-30(27)36)25-19-4-2-3-5-22(19)33-12-18(14-35)13-34(23)29(26)28(25)33/h2-10,15,18,35H,11-14H2,1H3,(H,31,36)/b9-7+
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| InChIKey |
QZXHSAFIECJCJR-VQHVLOKHSA-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