General Information of the Compound
| Compound ID |
CP0945004
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| Compound Name |
(S)-1-(4-(7-(5,6-Dimethyl-1H-indazol-4-yl)-2-((1-methylpyrrolidin-2-yl)methoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C29H38N8O2
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| Molecular Weight |
530.677
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| Canonical SMILES |
C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)c(C)cc4[nH]ncc24)C3)CC1
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| InChI |
InChI=1S/C29H38N8O2/c1-5-26(38)35-11-13-36(14-12-35)28-22-8-10-37(27-20(3)19(2)15-24-23(27)16-30-33-24)17-25(22)31-29(32-28)39-18-21-7-6-9-34(21)4/h5,15-16,21H,1,6-14,17-18H2,2-4H3,(H,30,33)/t21-/m0/s1
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| InChIKey |
BHHCXBBHBIOVSJ-NRFANRHFSA-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