General Information of the Compound
| Compound ID |
CP0883120
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| Compound Name |
[(R)-4-(3,5-bis-trifluoromethyl-benzoyl)-3-(1H-indol-3-ylmethyl)-piperazin-1-yl]-acetaldehyde O-(2-morpholin-4-yl-ethyl)-oxime
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| Structure |
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| Formula |
C30H33F6N5O3
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| Molecular Weight |
625.614
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| Canonical SMILES |
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C=N\OCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C30H33F6N5O3/c31-29(32,33)23-15-21(16-24(18-23)30(34,35)36)28(42)41-8-7-40(6-5-38-44-14-11-39-9-12-43-13-10-39)20-25(41)17-22-19-37-27-4-2-1-3-26(22)27/h1-5,15-16,18-19,25,37H,6-14,17,20H2/b38-5-/t25-/m1/s1
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| InChIKey |
NVAXHPXABHECLZ-RHJPCWOWSA-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