General Information of the Compound
| Compound ID |
CP0387865
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| Compound Name |
1,1-dimethyl-3-[4-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]butyl]urea
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| Structure |
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| Formula |
C26H37N5O
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| Molecular Weight |
435.616
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| Canonical SMILES |
CN(C)C(=O)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C26H37N5O/c1-30(2)26(32)28-14-5-6-16-31(24-13-7-11-20-12-8-15-27-25(20)24)19-23-17-21-9-3-4-10-22(21)18-29-23/h3-4,8-10,12,15,23-24,29H,5-7,11,13-14,16-19H2,1-2H3,(H,28,32)/t23-,24+/m1/s1
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| InChIKey |
UBJIKKSURAYJIB-RPWUZVMVSA-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