General Information of the Compound
| Compound ID |
CP0462400
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| Compound Name |
N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]-5-methylhexanamide
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| Structure |
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| Formula |
C33H34N4O3
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| Molecular Weight |
534.66
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| Canonical SMILES |
CC(C)CCCC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
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| InChI |
InChI=1S/C33H34N4O3/c1-22(2)11-9-18-28(39)36-26-17-10-16-25(19-26)29-30-32(37-27(20-38)23-12-5-3-6-13-23)34-21-35-33(30)40-31(29)24-14-7-4-8-15-24/h3-8,10,12-17,19,21-22,27,38H,9,11,18,20H2,1-2H3,(H,36,39)(H,34,35,37)/t27-/m1/s1
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| InChIKey |
UBBSUOQHUJQYIS-HHHXNRCGSA-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