General Information of the Compound
| Compound ID |
CP0010406
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| Compound Name |
(3S)-3-(cyclopropylmethyl)-3-methyl-5-[9-methyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-1H-indol-2-one
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| Formula |
C24H23N7O
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| Molecular Weight |
425.496
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| Canonical SMILES |
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)[C@@](C)(CC3CC3)c2c1
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| InChI |
InChI=1S/C24H23N7O/c1-13-25-10-16(11-26-13)21-30-20-19(27-12-28-22(20)31(21)3)15-6-7-18-17(8-15)24(2,23(32)29-18)9-14-4-5-14/h6-8,10-12,14H,4-5,9H2,1-3H3,(H,29,32)/t24-/m0/s1
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| InChIKey |
VDDKXFOTCDPZJB-DEOSSOPVSA-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