General Information of the Compound
| Compound ID |
CP0513360
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| Compound Name |
US9346786, 73
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| Structure |
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| Formula |
C33H40ClF2N3O5
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| Molecular Weight |
632.148
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CCOC(C)(C)C1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C33H40ClF2N3O5/c1-4-39(32(42)44-25-8-6-24(35)7-9-25)29-20-38(19-26(29)22-5-10-27(34)28(36)17-22)30(40)21-11-14-37(15-12-21)31(41)23-13-16-43-33(2,3)18-23/h5-10,17,21,23,26,29H,4,11-16,18-20H2,1-3H3/t23?,26-,29+/m0/s1
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| InChIKey |
HCWJMBLUJKOMSG-LBDMZIKYSA-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