General Information of the Compound
| Compound ID |
CP0538134
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-(hexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C34H46N6O3
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| Molecular Weight |
586.781
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| Canonical SMILES |
CCCCCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
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| InChI |
InChI=1S/C34H46N6O3/c1-2-3-4-11-22-36-34(43)30(21-18-25-12-7-5-8-13-25)39-32(41)27-19-16-26(17-20-27)23-37-33(42)29-24-38-40(31(29)35)28-14-9-6-10-15-28/h6,9-10,14-17,19-20,24-25,30H,2-5,7-8,11-13,18,21-23,35H2,1H3,(H,36,43)(H,37,42)(H,39,41)/t30-/m0/s1
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| InChIKey |
GSATWZKHHMXNGG-PMERELPUSA-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