General Information of the Compound
| Compound ID |
CP0232175
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| Compound Name |
4-amino-N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H23ClN6O2
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| Molecular Weight |
414.897
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| Canonical SMILES |
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CO)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H23ClN6O2/c21-14-3-1-13(2-4-14)16(11-28)26-19(29)20(22)6-9-27(10-7-20)18-15-5-8-23-17(15)24-12-25-18/h1-5,8,12,16,28H,6-7,9-11,22H2,(H,26,29)(H,23,24,25)
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| InChIKey |
ZVHIYNJZANDKEG-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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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