General Information of the Compound
| Compound ID |
CP0667788
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| Compound Name |
(S)-N-(3-(4-cyclopropylpiperazin-1-yl)propyl)-N-(((R)-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 |
C29H41N5
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| Molecular Weight |
459.682
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| Canonical SMILES |
c1ccc2c(c1)CN[C@@H](CN(CCCN1CCN(C3CC3)CC1)[C@H]1CCCc3cccnc31)C2
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| InChI |
InChI=1S/C29H41N5/c1-2-7-25-21-31-26(20-24(25)6-1)22-34(28-10-3-8-23-9-4-13-30-29(23)28)15-5-14-32-16-18-33(19-17-32)27-11-12-27/h1-2,4,6-7,9,13,26-28,31H,3,5,8,10-12,14-22H2/t26-,28+/m1/s1
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| InChIKey |
LFAGRDZGDMHKES-IAPPQJPRSA-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