General Information of the Compound
| Compound ID |
CP0225618
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| Compound Name |
4-[4-oxo-8-piperazin-1-yl-5-[(2-pyrimidin-5-ylphenyl)methyl]-10H-furo[2,3-c][1]benzazepin-2-yl]benzonitrile
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| Structure |
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| Formula |
C34H28N6O2
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| Molecular Weight |
552.638
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| Canonical SMILES |
O=C1N(Cc2ccccc2-c2cncnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1
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| InChI |
InChI=1S/C34H28N6O2/c35-18-23-5-7-24(8-6-23)32-17-27-15-26-16-29(39-13-11-36-12-14-39)9-10-31(26)40(34(41)33(27)42-32)21-25-3-1-2-4-30(25)28-19-37-22-38-20-28/h1-10,16-17,19-20,22,36H,11-15,21H2
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| InChIKey |
LEXOCJKTBRIGNK-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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