General Information of the Compound
| Compound ID |
CP0307932
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| Compound Name |
7-[(1S)-4-amino-2,3-dihydro-1H-inden-1-yl]-2-anilino-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C23H23N5O
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| Molecular Weight |
385.471
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| Canonical SMILES |
CC1(C)C(=O)N([C@H]2CCc3c2cccc3N)c2nc(Nc3ccccc3)ncc12
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| InChI |
InChI=1S/C23H23N5O/c1-23(2)17-13-25-22(26-14-7-4-3-5-8-14)27-20(17)28(21(23)29)19-12-11-15-16(19)9-6-10-18(15)24/h3-10,13,19H,11-12,24H2,1-2H3,(H,25,26,27)/t19-/m0/s1
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| InChIKey |
NLYZJYHBZFQGDP-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