General Information of the Compound
| Compound ID |
CP0917242
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| Compound Name |
4-[3-(3-{2-[1-(3-Chloro-phenyl)-piperidin-4-ylamino]-ethyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
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| Formula |
C31H38ClN5O5
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| Molecular Weight |
596.128
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3cccc(Cl)c3)CC2)c1
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| InChI |
InChI=1S/C31H38ClN5O5/c1-19-26(29(38)41-3)28(27(20(2)35-19)30(39)42-4)21-7-5-9-24(17-21)36-31(40)34-14-13-33-23-11-15-37(16-12-23)25-10-6-8-22(32)18-25/h5-10,17-18,23,28,33,38H,11-16H2,1-4H3,(H2,34,36,40)/b29-26+
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| InChIKey |
IKCFQTJZXOQWND-PBBVDAKRSA-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