General Information of the Compound
| Compound ID |
CP0566697
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| Compound Name |
(3R)-1-[(1S,2S)-4,6-dichloro-1-(4-imidazol-1-ylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
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| Structure |
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| Formula |
C23H24Cl2N4O
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| Molecular Weight |
443.378
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| Canonical SMILES |
N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1ccnc1
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| InChI |
InChI=1S/C23H24Cl2N4O/c24-15-10-20-19(21(25)11-15)12-22(28-8-1-2-16(26)13-28)23(20)30-18-5-3-17(4-6-18)29-9-7-27-14-29/h3-7,9-11,14,16,22-23H,1-2,8,12-13,26H2/t16-,22+,23+/m1/s1
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| InChIKey |
NMVPUVLCRFYMCJ-XARZLDAJSA-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