General Information of the Compound
| Compound ID |
CP0432869
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| Compound Name |
Allyl-[1-(4-indazol-2-yl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester
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| Structure |
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| Formula |
C33H37N5O4
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| Molecular Weight |
567.69
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| Canonical SMILES |
[O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cc4ccccc4n3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C33H37N5O4/c1-2-19-37(33(39)42-25-26-12-14-31(15-13-26)38(40)41)30-17-21-35(22-18-30)20-16-28(27-8-4-3-5-9-27)23-36-24-29-10-6-7-11-32(29)34-36/h2-15,24,28,30H,1,16-23,25H2
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| InChIKey |
OJCFQEUHBKWABV-UHFFFAOYSA-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