General Information of the Compound
| Compound ID |
CP0860921
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(3-(3-morpholinopropoxyimino)butyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C33H39F6N5O3
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| Molecular Weight |
667.695
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| Canonical SMILES |
C/C(CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCCN1CCOCC1
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| InChI |
InChI=1S/C33H39F6N5O3/c1-23(41-47-14-4-8-42-12-15-46-16-13-42)7-9-43-10-11-44(28(22-43)19-25-21-40-30-6-3-2-5-29(25)30)31(45)24-17-26(32(34,35)36)20-27(18-24)33(37,38)39/h2-3,5-6,17-18,20-21,28,40H,4,7-16,19,22H2,1H3/b41-23-/t28-/m1/s1
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| InChIKey |
UUPAVGLFLYUYFK-PPMPQVTDSA-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