General Information of the Compound
| Compound ID |
CP0637281
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| Compound Name |
(E/Z)-3-(5-(1-Cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]-pyridin-2-yl)furan-2-yl)-2-(4-methylpiperazine-1-carbonyl)-acrylonitrile
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| Structure |
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| Formula |
C27H29N7O2
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| Molecular Weight |
483.576
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| Canonical SMILES |
CN1CCN(C(=O)C(C#N)=Cc2ccc(-c3nc4cnc5[nH]ccc5c4n3C3CCCCC3)o2)CC1
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| InChI |
InChI=1S/C27H29N7O2/c1-32-11-13-33(14-12-32)27(35)18(16-28)15-20-7-8-23(36-20)26-31-22-17-30-25-21(9-10-29-25)24(22)34(26)19-5-3-2-4-6-19/h7-10,15,17,19H,2-6,11-14H2,1H3,(H,29,30)
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| InChIKey |
VDEZQJOWTFQHBU-UHFFFAOYSA-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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