General Information of the Compound
| Compound ID |
CP0959304
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| Compound Name |
(S)-2-(4-Chloro-2-trifluoromethyl-phenyl)-6-cyclopropylmethyl-7-ethyl-4-methyl-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylene
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| Structure |
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| Formula |
C22H22ClF3N4
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| Molecular Weight |
434.893
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| Canonical SMILES |
CC[C@H]1Cn2nc(-c3ccc(Cl)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1
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| InChI |
InChI=1S/C22H22ClF3N4/c1-3-15-11-30-21-18(29(15)10-13-4-5-13)8-12(2)27-20(21)19(28-30)16-7-6-14(23)9-17(16)22(24,25)26/h6-9,13,15H,3-5,10-11H2,1-2H3/t15-/m0/s1
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| InChIKey |
NYJOIYWVTXGYKE-HNNXBMFYSA-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