General Information of the Compound
| Compound ID |
CP0912651
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| Compound Name |
SID85201828
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| Structure |
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| Formula |
C37H41N3O5
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| Molecular Weight |
607.751
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C37H41N3O5/c1-26-22-40(27(2)25-41)37(43)33-21-30(38-36(42)20-28-10-6-4-7-11-28)16-19-34(33)45-35(26)24-39(3)23-29-14-17-32(18-15-29)44-31-12-8-5-9-13-31/h4-19,21,26-27,35,41H,20,22-25H2,1-3H3,(H,38,42)/t26-,27-,35+/m1/s1
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| InChIKey |
DHCQKYJUILKYHB-NVOANOBXSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3