General Information of the Compound
| Compound ID |
CP0894612
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| Compound Name |
1-[(R)-4-(3,5-bis-trifluoromethyl-benzoyl)-3-(1H-indol-3-ylmethyl)-piperazin-1-yl]-propan-2-one O-[2-(1,1-dioxo-thiomorpholin-4-yl)-ethyl]-oxime
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| Structure |
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| Formula |
C31H35F6N5O4S
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| Molecular Weight |
687.707
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| Canonical SMILES |
C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C31H35F6N5O4S/c1-21(39-46-11-8-40-9-12-47(44,45)13-10-40)19-41-6-7-42(26(20-41)16-23-18-38-28-5-3-2-4-27(23)28)29(43)22-14-24(30(32,33)34)17-25(15-22)31(35,36)37/h2-5,14-15,17-18,26,38H,6-13,16,19-20H2,1H3/b39-21-/t26-/m1/s1
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| InChIKey |
RJNBLSFDQIUPTN-RTOHIFTRSA-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