General Information of the Compound
| Compound ID |
CP0066262
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| Compound Name |
PIK90
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| Formula |
C18H17N5O3
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| Molecular Weight |
351.366
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| Canonical SMILES |
COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC
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| InChI |
InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)
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| InChIKey |
ZJAVHOMVDCMAMF-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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