General Information of the Compound
| Compound ID |
CP0966860
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| Compound Name |
US9221831, 95
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| Structure |
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| Formula |
C30H35N5O4
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| Molecular Weight |
529.641
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccccc4)[C@@H](C2)N(Cc2nn[nH]n2)CC[C@]315
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| InChI |
InChI=1S/C30H35N5O4/c1-36-22-9-8-20-14-23-28-10-11-30(37-2,21(15-28)18-38-17-19-6-4-3-5-7-19)27-29(28,25(20)26(22)39-27)12-13-35(23)16-24-31-33-34-32-24/h3-9,21,23,27H,10-18H2,1-2H3,(H,31,32,33,34)/t21-,23-,27-,28-,29+,30-/m1/s1
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| InChIKey |
LJKWSKUTFPQAJW-LDGIGSNBSA-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