General Information of the Compound
| Compound ID |
CP0871596
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| Compound Name |
Trans-2-chloro-N-{-4-((5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indoline]-1'-yl)methyl)cyclohexyl}-5-(trifluoromethyl)benzamid
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| Formula |
C25H23ClF4N2O2
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| Molecular Weight |
494.916
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CN2C(=O)C3(CC3)c3cc(F)ccc32)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C25H23ClF4N2O2/c26-20-7-3-15(25(28,29)30)11-18(20)22(33)31-17-5-1-14(2-6-17)13-32-21-8-4-16(27)12-19(21)24(9-10-24)23(32)34/h3-4,7-8,11-12,14,17H,1-2,5-6,9-10,13H2,(H,31,33)/t14-,17-
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| InChIKey |
QUAUXBRFIPLAEJ-CZIWCDLHSA-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