General Information of the Compound
| Compound ID |
CP0515992
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| Compound Name |
(S)-2-((R)-1-(3,5-dichlorophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(4-phenylpiperazin-1-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C30H32Cl2N4O5S
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| Molecular Weight |
631.582
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C30H32Cl2N4O5S/c31-22-18-23(32)20-26(19-22)42(40,41)36-12-4-7-28(36)29(37)33-27(30(38)39)17-21-8-10-25(11-9-21)35-15-13-34(14-16-35)24-5-2-1-3-6-24/h1-3,5-6,8-11,18-20,27-28H,4,7,12-17H2,(H,33,37)(H,38,39)/t27-,28+/m0/s1
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| InChIKey |
CIIULLSFEQSQLM-WUFINQPMSA-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