General Information of the Compound
| Compound ID |
CP0858877
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| Compound Name |
(S)-2-(2,4-Dichloro-phenyl)-7-ethyl-6-isobutyl-4-methyl-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylene
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| Structure |
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| Formula |
C21H24Cl2N4
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| Molecular Weight |
403.357
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| Canonical SMILES |
CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CC(C)C
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| InChI |
InChI=1S/C21H24Cl2N4/c1-5-15-11-27-21-18(26(15)10-12(2)3)8-13(4)24-20(21)19(25-27)16-7-6-14(22)9-17(16)23/h6-9,12,15H,5,10-11H2,1-4H3/t15-/m0/s1
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| InChIKey |
CKNACMOBZNQVQB-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