General Information of the Compound
| Compound ID |
CP0492737
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| Compound Name |
(6R)-5-cyclopentyl-N,6-diethyl-3-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-6H-imidazo[1,5-f]pteridine-7-carboxamide
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| Structure |
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| Formula |
C32H43N9O3
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| Molecular Weight |
601.756
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| Canonical SMILES |
CCNC(=O)c1ncn-2c1[C@@H](CC)N(C1CCCC1)c1nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc-21
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| InChI |
InChI=1S/C32H43N9O3/c1-5-24-28-27(31(43)33-6-2)35-19-40(28)25-18-34-32(38-29(25)41(24)22-9-7-8-10-22)37-23-12-11-20(17-26(23)44-4)30(42)36-21-13-15-39(3)16-14-21/h11-12,17-19,21-22,24H,5-10,13-16H2,1-4H3,(H,33,43)(H,36,42)(H,34,37,38)/t24-/m1/s1
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| InChIKey |
IYWCICTYSWDBDQ-XMMPIXPASA-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