General Information of the Compound
| Compound ID |
CP0933807
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| Compound Name |
SID81066244
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| Structure |
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| Formula |
C32H31FN2O4
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| Molecular Weight |
526.608
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| Canonical SMILES |
COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1
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| InChI |
InChI=1S/C32H31FN2O4/c1-38-31(36)30-27(26-13-11-23(33)17-29(26)39-19-20-7-3-2-4-8-20)18-25-12-14-28(30)35(25)32(37)34-24-15-21-9-5-6-10-22(21)16-24/h2-11,13,17,24-25,28H,12,14-16,18-19H2,1H3,(H,34,37)/t25-,28+/m0/s1
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| InChIKey |
KVONMBZNAVITRK-LBNVMWSVSA-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