General Information of the Compound
| Compound ID |
CP0552571
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-(4-methylpiperazin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;dihydrochloride
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| Formula |
C31H48Cl2N6O4
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| Molecular Weight |
639.669
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| Canonical SMILES |
Cl.Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCN(C)CC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C31H46N6O4.2ClH/c1-35-16-18-36(19-17-35)15-14-23(20-29(38)32-22-8-6-9-22)33-31(39)25-21-26(37(34-25)24-10-4-5-11-24)30-27(40-2)12-7-13-28(30)41-3;;/h7,12-13,21-24H,4-6,8-11,14-20H2,1-3H3,(H,32,38)(H,33,39);2*1H/t23-;;/m0../s1
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| InChIKey |
FTFWYGDDBLDONQ-IFUPQEAVSA-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