General Information of the Compound
| Compound ID |
CP0878045
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| Compound Name |
2,6-Dimethyl-4-(3-{3-[2-(1-phenyl-piperidin-4-ylamino)-ethyl]-ureido}-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
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| Formula |
C31H39N5O5
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| Molecular Weight |
561.683
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C31H39N5O5/c1-20-26(29(37)40-3)28(27(21(2)34-20)30(38)41-4)22-9-8-10-24(19-22)35-31(39)33-16-15-32-23-13-17-36(18-14-23)25-11-6-5-7-12-25/h5-12,19,23,28,32,37H,13-18H2,1-4H3,(H2,33,35,39)/b29-26+
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| InChIKey |
MUOJZQJKQQSHSN-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