General Information of the Compound
| Compound ID |
CP0214202
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| Compound Name |
4-amino-N-[1-(4-chlorophenyl)-3-(dimethylamino)-3-oxopropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C23H28ClN7O2
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| Molecular Weight |
469.977
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| Canonical SMILES |
CN(C)C(=O)CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H28ClN7O2/c1-30(2)19(32)13-18(15-3-5-16(24)6-4-15)29-22(33)23(25)8-11-31(12-9-23)21-17-7-10-26-20(17)27-14-28-21/h3-7,10,14,18H,8-9,11-13,25H2,1-2H3,(H,29,33)(H,26,27,28)
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| InChIKey |
LQQPFOMYANFEHH-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