General Information of the Compound
| Compound ID |
CP0483980
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| Compound Name |
6-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]hexanamide
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| Structure |
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| Formula |
C34H37N5O3
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| Molecular Weight |
563.702
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| Canonical SMILES |
CN(C)CCCCCC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
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| InChI |
InChI=1S/C34H37N5O3/c1-39(2)20-11-5-10-19-29(41)37-27-18-12-17-26(21-27)30-31-33(38-28(22-40)24-13-6-3-7-14-24)35-23-36-34(31)42-32(30)25-15-8-4-9-16-25/h3-4,6-9,12-18,21,23,28,40H,5,10-11,19-20,22H2,1-2H3,(H,37,41)(H,35,36,38)/t28-/m1/s1
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| InChIKey |
UKGLEIJYSJCQAB-MUUNZHRXSA-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