General Information of the Compound
| Compound ID |
CP0457562
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| Compound Name |
(1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((1-methyl-1H-indol-3-yl)methyl)cyclopentane-1,3-diamine
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| Structure |
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| Formula |
C26H30N4O
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| Molecular Weight |
414.553
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| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccccc34)nc2c1
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| InChI |
InChI=1S/C26H30N4O/c1-17-12-26(29-24-14-21(31-3)10-11-22(17)24)28-20-9-8-19(13-20)27-15-18-16-30(2)25-7-5-4-6-23(18)25/h4-7,10-12,14,16,19-20,27H,8-9,13,15H2,1-3H3,(H,28,29)/t19-,20-/m0/s1
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| InChIKey |
JVZSAWYDIFBBDC-PMACEKPBSA-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