General Information of the Compound
| Compound ID |
CP0484436
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| Compound Name |
US9346786, 14
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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 |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C32H34ClFN4O4/c1-3-38(32(41)42-27-11-9-26(34)10-12-27)29-20-37(19-28(29)22-4-7-25(33)8-5-22)31(40)23-14-16-36(17-15-23)30-13-6-24(18-35-30)21(2)39/h4-13,18,23,28-29H,3,14-17,19-20H2,1-2H3/t28-,29+/m0/s1
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| InChIKey |
YWLZWTLMBUJCLT-URLMMPGGSA-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