General Information of the Compound
| Compound ID |
CP0454385
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| Compound Name |
(R)-N-(5-guanidino-1-oxo-1-(4-(trifluoromethyl)benzylamino)pentan-2-yl)-9,10-dihydroanthracene-9-carboxamide
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| Structure |
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| Formula |
C29H30F3N5O2
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| Molecular Weight |
537.586
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)C1c2ccccc2Cc2ccccc12)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H30F3N5O2/c30-29(31,32)21-13-11-18(12-14-21)17-36-26(38)24(10-5-15-35-28(33)34)37-27(39)25-22-8-3-1-6-19(22)16-20-7-2-4-9-23(20)25/h1-4,6-9,11-14,24-25H,5,10,15-17H2,(H,36,38)(H,37,39)(H4,33,34,35)/t24-/m1/s1
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| InChIKey |
XKMVPWCJTXFTPM-XMMPIXPASA-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