General Information of the Compound
| Compound ID |
CP0499124
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| Compound Name |
piperidin-2-ylmethyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate
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| Structure |
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| Formula |
C29H32N8O2
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| Molecular Weight |
524.629
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| Canonical SMILES |
CCC1=C2C(N=C1NC(=O)OCC1CCCCN1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1
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| InChI |
InChI=1S/C29H32N8O2/c1-2-23-25-27(31-18-32-28(25)35-26(23)36-29(38)39-17-22-10-6-7-13-30-22)34-21-11-12-24-20(14-21)15-33-37(24)16-19-8-4-3-5-9-19/h3-5,8-9,11-12,14-15,18,22,28,30H,2,6-7,10,13,16-17H2,1H3,(H,31,32,34)(H,35,36,38)
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| InChIKey |
LXEFMJMGOVUZJS-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