General Information of the Compound
| Compound ID |
CP0240541
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| Compound Name |
(8S)-N-(cyclopropylmethyl)-N-[[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C27H37N5
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| Molecular Weight |
431.628
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| Canonical SMILES |
C(C1CC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C27H37N5/c1-4-21-6-3-11-29-27(21)26(8-1)32(18-20-9-10-20)19-23-16-24-22(17-30-23)5-2-7-25(24)31-14-12-28-13-15-31/h2-3,5-7,11,20,23,26,28,30H,1,4,8-10,12-19H2/t23-,26+/m1/s1
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| InChIKey |
LVRJXLFKEYVIDK-BVAGGSTKSA-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