General Information of the Compound
| Compound ID |
CP0367050
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| Compound Name |
5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
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| Formula |
C30H33N7O4
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| Molecular Weight |
555.639
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| Canonical SMILES |
CN1CCC(CC1)c1nnc(o1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C30H33N7O4/c1-30(2)23-15-20(9-10-21(23)28(39)41-30)32-29-31-16-22(25(34-29)33-24(17-38)18-7-5-4-6-8-18)27-36-35-26(40-27)19-11-13-37(3)14-12-19/h4-10,15-16,19,24,38H,11-14,17H2,1-3H3,(H2,31,32,33,34)/t24-/m1/s1
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| InChIKey |
HZYIMGKDYXEJDM-XMMPIXPASA-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