General Information of the Compound
| Compound ID |
CP0375828
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| Compound Name |
N,N-dimethyl-4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H27N5O3S
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| Molecular Weight |
477.59
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
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| InChI |
InChI=1S/C25H27N5O3S/c1-30(2)34(31,32)20-12-10-18(11-13-20)23-21(17-7-4-3-5-8-17)22-24(27-16-28-25(22)29-23)26-15-19-9-6-14-33-19/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m0/s1
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| InChIKey |
LRMPRIGQMPFPKE-IBGZPJMESA-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
Protein ID: PT06503, Activated CDC42 kinase 1
Protein ID: PT01754, Activated CDC42 kinase 1