General Information of the Compound
| Compound ID |
CP0509708
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| Compound Name |
1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-[(S)-1-(2-p-tolyl-ethyl)-piperidin-3-ylmethyl]-urea
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| Structure |
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| Formula |
C26H35N7O
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| Molecular Weight |
461.614
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| Canonical SMILES |
CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccc(C)cc3)C2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C26H35N7O/c1-4-20-14-23(25-29-30-31-32(25)3)16-24(15-20)28-26(34)27-17-22-6-5-12-33(18-22)13-11-21-9-7-19(2)8-10-21/h7-10,14-16,22H,4-6,11-13,17-18H2,1-3H3,(H2,27,28,34)/t22-/m0/s1
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| InChIKey |
MZMHIRSLXFMRFA-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