General Information of the Compound
| Compound ID |
CP0090926
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| Compound Name |
1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(4-nitrobenzyl)urea
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| Structure |
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| Formula |
C33H43N5O5
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| Molecular Weight |
589.737
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| Canonical SMILES |
O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C33H43N5O5/c1-2-18-37(32(40)34-21-25-12-14-30(15-13-25)38(42)43)29-16-19-35(20-17-29)22-28-23-36(31(39)26-8-6-7-9-26)24-33(28,41)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,41H,1,6-9,16-24H2,(H,34,40)/t28-,33-/m0/s1
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| InChIKey |
HRWCVSZBRYRXRI-UVMMSNCQSA-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