General Information of the Compound
| Compound ID |
CP0467230
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| Compound Name |
(1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((1-methyl-1H-pyrrolo[3,2-h]quinolin-3-yl)methyl)cyclopentane-1,3-diamine
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| Structure |
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| Formula |
C29H31N5O
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| Molecular Weight |
465.601
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| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4c3ccc3cccnc43)nc2c1
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| InChI |
InChI=1S/C29H31N5O/c1-18-13-27(33-26-15-23(35-3)9-11-24(18)26)32-22-8-7-21(14-22)31-16-20-17-34(2)29-25(20)10-6-19-5-4-12-30-28(19)29/h4-6,9-13,15,17,21-22,31H,7-8,14,16H2,1-3H3,(H,32,33)/t21-,22-/m0/s1
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| InChIKey |
OCYOCCVPAPEXPF-VXKWHMMOSA-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