General Information of the Compound
| Compound ID |
CP0565198
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| Compound Name |
(3R)-1-[(1S,2S)-4,6-dichloro-1-[4-(1,2,4-triazol-1-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
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| Structure |
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| Formula |
C22H23Cl2N5O
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| Molecular Weight |
444.366
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| Canonical SMILES |
N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1cncn1
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| InChI |
InChI=1S/C22H23Cl2N5O/c23-14-8-19-18(20(24)9-14)10-21(28-7-1-2-15(25)11-28)22(19)30-17-5-3-16(4-6-17)29-13-26-12-27-29/h3-6,8-9,12-13,15,21-22H,1-2,7,10-11,25H2/t15-,21+,22+/m1/s1
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| InChIKey |
YXZNWXCFPLSXPO-YDFBLROQSA-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