General Information of the Compound
| Compound ID |
CP0371902
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(pyrrolidin-3-yloxy)yridin-2-yl]carbonyl}amino)entanoic Acid
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| Structure |
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| Formula |
C30H39N5O7
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| Molecular Weight |
581.67
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCNC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H39N5O7/c1-2-3-17-41-30(40)35-15-13-34(14-16-35)29(39)24(9-10-27(36)37)33-28(38)26-19-23(42-22-11-12-31-20-22)18-25(32-26)21-7-5-4-6-8-21/h4-8,18-19,22,24,31H,2-3,9-17,20H2,1H3,(H,33,38)(H,36,37)/t22?,24-/m0/s1
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| InChIKey |
VOYFORYMAZPQDL-GITCGBDTSA-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