General Information of the Compound
| Compound ID |
CP0483898
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| Compound Name |
5-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]pentanamide
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| Structure |
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| Formula |
C33H35N5O3
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| Molecular Weight |
549.675
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| Canonical SMILES |
CN(C)CCCCC(=O)Nc1cccc(c1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
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| InChI |
InChI=1S/C33H35N5O3/c1-38(2)19-10-9-18-28(40)36-26-17-11-16-25(20-26)29-30-32(37-27(21-39)23-12-5-3-6-13-23)34-22-35-33(30)41-31(29)24-14-7-4-8-15-24/h3-8,11-17,20,22,27,39H,9-10,18-19,21H2,1-2H3,(H,36,40)(H,34,35,37)/t27-/m1/s1
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| InChIKey |
PJEIORHBQLYUQM-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