General Information of the Compound
| Compound ID |
CP0864801
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| Compound Name |
SID87341718
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| Structure |
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| Formula |
C25H25NO3
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| Molecular Weight |
387.479
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| Canonical SMILES |
O=C(COc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1
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| InChI |
InChI=1S/C25H25NO3/c27-24(18-28-21-12-5-2-6-13-21)26-25-22-14-8-7-11-20(22)15-16-23(25)29-17-19-9-3-1-4-10-19/h1-14,23,25H,15-18H2,(H,26,27)/t23-,25-/m1/s1
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| InChIKey |
NUDBCJOKPRVDOA-ILBGXUMGSA-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: PT06172, Mothers against decapentaplegic homolog 3