General Information of the Compound
| Compound ID |
CP0108915
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| Compound Name |
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(4-morpholinopiperidin-1-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C30H35ClN6O3
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| Molecular Weight |
563.102
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| Canonical SMILES |
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCOCC1
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| InChI |
InChI=1S/C30H35ClN6O3/c1-19-15-23(36-9-6-22(7-10-36)37-11-13-40-14-12-37)17-25-28(19)35-29(34-25)27-24(5-8-32-30(27)39)33-18-26(38)20-3-2-4-21(31)16-20/h2-5,8,15-17,22,26,38H,6-7,9-14,18H2,1H3,(H,34,35)(H2,32,33,39)/t26-/m1/s1
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| InChIKey |
ANBSWCCVJMJABF-AREMUKBSSA-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