General Information of the Compound
| Compound ID |
CP0570789
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| Compound Name |
naphthalen-2-yl N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]carbamate
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| Structure |
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| Formula |
C31H31N5O4
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| Molecular Weight |
537.62
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Oc1ccc2ccccc2c1
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| InChI |
InChI=1S/C31H31N5O4/c1-19-15-26(30-32-20(2)29(36(30)34-19)23-10-12-27(38-3)28(17-23)39-4)35-14-13-24(18-35)33-31(37)40-25-11-9-21-7-5-6-8-22(21)16-25/h5-12,15-17,24H,13-14,18H2,1-4H3,(H,33,37)/t24-/m1/s1
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| InChIKey |
KHAOETLEQRZSCD-XMMPIXPASA-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