General Information of the Compound
| Compound ID |
CP0951142
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| Compound Name |
6-Chloro-1-cyclohexyl-2,3,4,4a,9,9a-hexahydro-1H-b-carboline hydrochloride
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| Formula |
C17H22Cl2N2
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| Molecular Weight |
325.283
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| Canonical SMILES |
Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3C1CCCCC1
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| InChI |
InChI=1S/C17H21ClN2.ClH/c18-12-6-7-15-14(10-12)13-8-9-19-16(17(13)20-15)11-4-2-1-3-5-11;/h6-7,10-11,16,19-20H,1-5,8-9H2;1H
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| InChIKey |
RMQCBJXVMBNWMI-UHFFFAOYSA-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