General Information of the Compound
| Compound ID |
CP0465810
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| Compound Name |
2-[[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropyl]amino]acetic acid
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| Structure |
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| Formula |
C29H49N11O3
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| Molecular Weight |
599.785
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| Canonical SMILES |
OC(=O)CNCCC(=O)N1CCC(CC1)Nc1ccnc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
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| InChI |
InChI=1S/C29H49N11O3/c41-27(9-15-31-21-28(42)43)39-18-10-24(11-19-39)35-26-8-16-33-29(36-26)34-20-25-22-40(38-37-25)17-5-13-30-12-4-14-32-23-6-2-1-3-7-23/h8,16,22-24,30-32H,1-7,9-15,17-21H2,(H,42,43)(H2,33,34,35,36)
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| InChIKey |
IENGYTHWKOVKBG-UHFFFAOYSA-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