General Information of the Compound
| Compound ID |
CP0241751
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| Compound Name |
4-amino-N-[(4-chlorophenyl)-phenylmethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C25H25ClN6O
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| Molecular Weight |
460.969
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| Canonical SMILES |
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H25ClN6O/c26-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)31-24(33)25(27)11-14-32(15-12-25)23-20-10-13-28-22(20)29-16-30-23/h1-10,13,16,21H,11-12,14-15,27H2,(H,31,33)(H,28,29,30)
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| InChIKey |
LEFZGZYEAILDKJ-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