General Information of the Compound
| Compound ID |
CP0071990
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| Compound Name |
PF-CBP1
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
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| InChI |
InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
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| InChIKey |
CGWBJJZOKGZCSJ-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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