General Information of the Compound
| Compound ID |
CP0455982
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| Compound Name |
1-[(1S,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]-1,4-diazepane
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| Structure |
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| Formula |
C24H27Cl2N5O
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| Molecular Weight |
472.42
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| Canonical SMILES |
Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCNCC2)cc1
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| InChI |
InChI=1S/C24H27Cl2N5O/c1-15-28-29-16(2)31(15)18-4-6-19(7-5-18)32-24-21-12-17(25)13-22(26)20(21)14-23(24)30-10-3-8-27-9-11-30/h4-7,12-13,23-24,27H,3,8-11,14H2,1-2H3/t23-,24-/m0/s1
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| InChIKey |
UAGDUOAPIPRDDW-ZEQRLZLVSA-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