General Information of the Compound
| Compound ID |
CP0465069
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| Compound Name |
2-(1H-indol-3-yl)ethyl N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C27H33N5O3
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| Molecular Weight |
475.593
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| Canonical SMILES |
NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H33N5O3/c28-13-6-1-7-14-29-26(33)25(16-20-18-31-24-11-5-3-9-22(20)24)32-27(34)35-15-12-19-17-30-23-10-4-2-8-21(19)23/h2-5,8-11,17-18,25,30-31H,1,6-7,12-16,28H2,(H,29,33)(H,32,34)/t25-/m0/s1
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| InChIKey |
NRTXUUJLLCMDIZ-VWLOTQADSA-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