General Information of the Compound
| Compound ID |
CP0911950
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| Compound Name |
N1-(3-Fluoropropyl)-N2-(6-((6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)pyridin-3-yl)ethane-1,2-diamine
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| Formula |
C23H28F4N6
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| Molecular Weight |
464.511
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NCCNCCCF)cn2)N1CC(F)(F)F
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| InChI |
InChI=1S/C23H28F4N6/c1-15-11-18-17(4-6-20-19(18)13-31-32-20)22(33(15)14-23(25,26)27)21-5-3-16(12-30-21)29-10-9-28-8-2-7-24/h3-6,12-13,15,22,28-29H,2,7-11,14H2,1H3,(H,31,32)/t15-,22+/m1/s1
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| InChIKey |
PUTTWXCQFZTZSR-QRQCRPRQSA-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