General Information of the Compound
| Compound ID |
CP0380766
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| Compound Name |
N-[(1R)-2-[[5-chloro-6-methyl-2-(5-nitropyridin-2-yl)pyrimidin-4-yl]amino]-1-phenylethyl]-4-piperazin-1-ylbutanamide
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| Structure |
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| Formula |
C26H31ClN8O3
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| Molecular Weight |
539.04
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccc(cn1)[N+]([O-])=O
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| InChI |
InChI=1S/C26H31ClN8O3/c1-18-24(27)26(33-25(31-18)21-10-9-20(16-29-21)35(37)38)30-17-22(19-6-3-2-4-7-19)32-23(36)8-5-13-34-14-11-28-12-15-34/h2-4,6-7,9-10,16,22,28H,5,8,11-15,17H2,1H3,(H,32,36)(H,30,31,33)/t22-/m0/s1
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| InChIKey |
GANWDTIDWJRKEZ-QFIPXVFZSA-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