General Information of the Compound
| Compound ID |
CP0953372
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| Compound Name |
N1-(6-((6S,8R)-7-((1-Fluorocyclopropyl)methyl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)pyridin-3-yl)-N2-(3-fluoropropyl)ethane-1,2-diamine
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| Formula |
C25H32F2N6
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| Molecular Weight |
454.569
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NCCNCCCF)cn2)N1CC1(F)CC1
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| InChI |
InChI=1S/C25H32F2N6/c1-17-13-20-19(4-6-22-21(20)15-31-32-22)24(33(17)16-25(27)7-8-25)23-5-3-18(14-30-23)29-12-11-28-10-2-9-26/h3-6,14-15,17,24,28-29H,2,7-13,16H2,1H3,(H,31,32)/t17-,24+/m1/s1
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| InChIKey |
UBXGOMHUKQAISL-OSPHWJPCSA-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