General Information of the Compound
| Compound ID |
CP0191433
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| Compound Name |
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
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| Structure |
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| Formula |
C27H25N7O2
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| Molecular Weight |
479.544
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| Canonical SMILES |
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C
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| InChI |
InChI=1S/C27H25N7O2/c1-15-25-27(34-33-15)31-13-24(32-25)22-10-19(12-30-26(22)20-7-8-35-16(20)2)36-14-18(28)9-17-11-29-23-6-4-3-5-21(17)23/h3-8,10-13,18,29H,9,14,28H2,1-2H3,(H,31,33,34)/t18-/m0/s1
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| InChIKey |
WVXVZSIOYIMDMF-SFHVURJKSA-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