General Information of the Compound
| Compound ID |
CP0407914
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| Compound Name |
tert-butyl (4S)-4-amino-5-[4-methyl-3-[1-methyl-7-[4-methyl-3-(prop-2-enoylamino)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]anilino]-5-oxopentanoate
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| Structure |
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| Formula |
C33H40N8O5
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| Molecular Weight |
628.734
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| Canonical SMILES |
CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)ccc1C
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| InChI |
InChI=1S/C33H40N8O5/c1-8-27(42)38-25-15-22(11-9-19(25)2)37-31-35-17-21-18-41(32(45)40(7)29(21)39-31)26-16-23(12-10-20(26)3)36-30(44)24(34)13-14-28(43)46-33(4,5)6/h8-12,15-17,24H,1,13-14,18,34H2,2-7H3,(H,36,44)(H,38,42)(H,35,37,39)/t24-/m0/s1
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| InChIKey |
YLJLFBZDNXSGMV-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