General Information of the Compound
| Compound ID |
CP0507443
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| Compound Name |
2-[2,2-Bis-(4-chloro-phenyl)-acetylamino]-5-guanidino-pentanoic acid (S)-indan-1-ylamide
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| Structure |
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| Formula |
C29H31Cl2N5O2
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| Molecular Weight |
552.506
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
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| InChI |
InChI=1S/C29H31Cl2N5O2/c30-21-12-7-19(8-13-21)26(20-9-14-22(31)15-10-20)28(38)36-25(6-3-17-34-29(32)33)27(37)35-24-16-11-18-4-1-2-5-23(18)24/h1-2,4-5,7-10,12-15,24-26H,3,6,11,16-17H2,(H,35,37)(H,36,38)(H4,32,33,34)/t24-,25?/m0/s1
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| InChIKey |
GBRLDXACSXSMTE-SKCDSABHSA-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