General Information of the Compound
| Compound ID |
CP0387638
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| Compound Name |
(3aR,7aS)-7a-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,7-octahydroisoindole
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| Structure |
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| Formula |
C14H17Cl2N
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| Molecular Weight |
270.203
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| Canonical SMILES |
Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1CCCC2
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| InChI |
InChI=1S/C14H17Cl2N/c15-12-5-4-10(7-13(12)16)14-6-2-1-3-11(14)8-17-9-14/h4-5,7,11,17H,1-3,6,8-9H2/t11-,14+/m0/s1
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| InChIKey |
UIBIRCANCAKLIN-SMDDNHRTSA-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