General Information of the Compound
| Compound ID |
CP0476975
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| Compound Name |
US8618303, 11
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| Structure |
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| Formula |
C32H34ClFN4O4
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| Molecular Weight |
593.099
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| Canonical SMILES |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O
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| InChI |
InChI=1S/C32H34ClFN4O4/c1-21(39)24-6-13-29(35-18-24)37-16-14-23(15-17-37)30(40)38-19-28(22-4-7-25(33)8-5-22)32(2,20-38)36(3)31(41)42-27-11-9-26(34)10-12-27/h4-13,18,23,28H,14-17,19-20H2,1-3H3/t28-,32+/m1/s1
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| InChIKey |
VWLPGGSBDNIFSI-NSJVFKKDSA-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