General Information of the Compound
| Compound ID |
CP0380765
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| Compound Name |
N-[(1R)-2-[[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-6-phenylhexanamide
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| Structure |
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| Formula |
C30H31Cl2N5O
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| Molecular Weight |
548.518
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NC(=O)CCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C30H31Cl2N5O/c1-21-28(32)30(37-29(35-21)25-18-17-24(31)19-33-25)34-20-26(23-14-8-4-9-15-23)36-27(38)16-10-3-7-13-22-11-5-2-6-12-22/h2,4-6,8-9,11-12,14-15,17-19,26H,3,7,10,13,16,20H2,1H3,(H,36,38)(H,34,35,37)/t26-/m0/s1
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| InChIKey |
UTVBIOYKIWRMTJ-SANMLTNESA-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